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[求助]
求助微谱数据库检索一化合物
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碳谱数据输入： 14.7,23.4,23.4,26.3,26.9,29.9,30.0,30.1,30.3,30.3,30.4,30.5,30.5,32.6,32.6,33.3,33.4,34.2,34.8,36.0,52.3,72.1,73.0,75.1,86.5,86.6,130.8,131.5,176.0 模糊查询。相似度大于60% |
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kaola0916
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【答案】应助回帖
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感谢参与，应助指数 +1
love笔小芯: 金币+10, ★有帮助, 十分感谢！ 2012-05-21 15:45:00
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感谢参与，应助指数 +1
love笔小芯: 金币+10, ★有帮助, 十分感谢！ 2012-05-21 15:45:00
豆哥: 金币+1, 谢谢参与交流 2012-05-21 16:27:09
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查询模式：模糊查询 碳谱数据输入： 按从小到大顺序输入，数字间用英文半角逗号(,)分隔例如： 21.4,30.4,37.4,73.2,73.7,125.6,126.6,139.6,140.2,168.2 14.7,23.4,23.4,26.3,26.9,29.9,30.0,30.1,30.3,30.3,30.4,30.5,30.5,32.6,32.6,33.3,33.4,34.2,34.8,36.0,52.3,72.1,73.0,75.1,86.5,86.6,130.8,131.5,176.0 溶剂选项： 全部 CDCl3 CD3CD2OD CD2Cl2 C5D5N C3D7NO CD3SOCD3 C4D8O (CH3)4Si C4D8O2 CD3COOD C4D8O2 H2O D2O CF3COOD CD3OD ND3 CD3COCD3 C6D6 CD3CN 查询空值 匹配容差： (数字格式，可自行设定) 相似度： %(相似度>=50%) 查询结果：共查到359个化合物(查询结果仅供参考) -------------------------------------------------------------------------------- 1 . aralia cerebroside (1-O-β-D-glucopyranosyl-(2S,3S,4R,8E)-2-[(2'R)-2'-hydorxypalmitoylamino]-8-octadecene-1,3,4-triol) 相似度:75.8% Korean Journal of Pharmacognosy 2006 37(2) 81-84 Isolation of a Cerebroside from Panax notoginseng Cho, Min-Jung; Lee, So-Young; Kim, Ju-Sun; Lee, Je-Hyun; Choi, Hwan-Soo; Lee, Ho-Young; Ha, Hye-Kyung; Kim, Chung-Sook; Kang, Sam-Sik Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 2 . ceramide 相似度:75.8% Indian Journal of Chemistry 2007 46B 1868-1872 Antifungal and phytochemical studies of Eupatorium birmanicum DC. Devi,L Reena; Singh,Th Shyamkeshor; Laitonjam,Warjeet S Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 3 . aralia cerebroside C40H77NO10 相似度:72.4% Journal of Natural Products 1999 62 1059-1060 Isolation of a New Cerebroside from the Root Bark of Aralia elata Sam Sik Kang, Ju Sun Kim, Yong Nan Xu, and Young Hee Kim Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 4 . phytoceramide C36H71NO4 相似度:72.4% Molecules 2011 16 9090-9100 Phytoceramide Shows Neuroprotection and Ameliorates Scopolamine-Induced Memory Impairment Jae-Chul Jung, Yeonju Lee, Sohyeon Moon, Jong Hoon Ryu and Seikwan Oh Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 5 . cerebroside 相似度:71.8% Indian Journal of Chemistry 2007 46B 1868-1872 Antifungal and phytochemical studies of Eupatorium birmanicum DC. Devi,L Reena; Singh,Th Shyamkeshor; Laitonjam,Warjeet S Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 6 . 1,3,5-trihydroxy-2-hexadecanoylamino-9-(E)-heptacosene C42H83NO4 相似度:68.9% Phytochemistry 2002 61 1005-1008 Sphingolipids from Conyza canadensis Naveen Mukhtar, Kiran Iqbal, Itrat Anis, Abdul Malik Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 7 . 6-O-(13-Methyltetradecanoyl)-6'-O-oleoyl-α,α-trehalose/Maradolipid C45H82O13 相似度:68.9% The Journal of Organic Chemistry 2011 76 6866-6870 Synthesis of Maradolipid Vikram A. Sarpe and Suvarn S. Kulkarni Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 8 . aralia cerebroside 相似度:68.9% Archives of Pharmacal Research 2006 29 548-555 Cytotoxic and COX-2 inhibitory constituents from the aerial parts ofAralia cordata Ik Soo Lee, Wen Yi Jin, Xinfeng Zhang, Tran Manh Hung and Kyung Sik Song, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 9 . (2'S,3'S,4'R)-1D-(1,2,3/4,5)-5-O-(2'-hexacosanoylamino-3',4'-dihydroxyoctadecyl)cyclohexanepentol C50H99NO8 相似度:68.9% Bioorganic & Medicinal Chemistry 2009 17 6360-6373 RCAI-37, 56, 59, 60, 92, 101, and 102, cyclitol and carbasugar analogs of KRN7000: Their synthesis and bioactivity for mouse lymphocytes to produce Th1-biased cytokines Takuya Tashiro, Ryusuke Nakagawa, Takatsugu Hirokawa, Sayo Inoue, Hiroshi Watarai, Masaru Taniguchi, Kenji Mori Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 10 . 1,3,5-trihydroxy-2-hexadecanoylamino-9-(E)-heptacosene β-D-glucopyranoside derivative C48H93NO9 相似度:68.7% Phytochemistry 2002 61 1005-1008 Sphingolipids from Conyza canadensis Naveen Mukhtar, Kiran Iqbal, Itrat Anis, Abdul Malik Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 11 . N-palmitoyl-D-erythro-(2S,3R)-17-methyl-octadecasphinga-4(E),8(E)-dienine C35H67NO3 相似度:66.6% Journal of Natural Products 1995 Vol 58 Isolation of New Ceramides from the Gorgonian Acabaria undulata Jongheon Shin, Youngwan Seo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 12 . 1-O-β-D-glucopyranosyl-(2S,3S,4R,8E/Z)-2-(2'-hydroxydocosanoyl amino)-8-octadecene-1,3,4-triol 相似度:66.6% Natural Product Sciences 2008 14 161-166 Phytochemical Studies on Paeoniae Radix (4);Cerebrosides and Other Constituents Kim, Yoon-Jung; Yean, Min-Hye; Lee, Eun-Ju; Kim, Ju-Sun; Lee, Je-Hyun; Kang, Sam-Sik Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 13 . lucyobroside C39H73O9N 相似度:66.6% Natural Product Research and Development 1996 8(3) 20-25 A NEW CEREBROSIDE FROM LUFFA CYLINDRICA (L)ROEM Fang Zhapu; Zeng Xianyi; Xiong Shuling Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 14 . cerebroside C48H91NO9 相似度:65.6% Phytochemistry 1998 49 2403-2408 Glycosides from Stenochlaena palustris Hongmei Liu, Jimmy Orjala, Topul Rali, Otto Sticher Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 15 . soya-cerebroside I C40H75NO9 相似度:65.5% Natural Product Sciences 2001 7 27-32 Isolation of Soya-cerebroside I from the Roots of Trichosanthes kirilowii Kim, Ju-Sun; Byun, Ji-Hye; Kang, Sam-Sik Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 16 . 1-oleoyl-3-O-β-D-galactopyranosyl-sn-glycerol 相似度:65.5% Chinese Pharmaceutical Journal 2006 41 1374-1375 Studies on Non-Alkaloid Constituent of Amaryllidaceae Species Hippeastrun vittatum(L'Herit.) Herb. WANG Guang-shu, WANG Ling-yan, YANG Xiao-hong, XU Jingda Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 17 . AGL-585 C50H98NO9 相似度:65.5% Bioorganic & Medicinal Chemistry 1997 5 2245-2249 Immunostimulatory activities of monoglycosylated α-d-pyranosylceramides Akira Uchimura, Toshiyuki Shimizu, Masahiro Morita, Hitomi Ueno, Kazuhiro Motoki, Hideaki Fukushima, Takenori Natori, Yasuhiko Koezuka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 18 . diacylgalactolipids I C43H76O10 相似度:64.7% Bulletin of the Korean Chemical Society 2000 21 1138-1140 New Diacylgalactolipids from the Marine Cyanophycean Microalga Oscillatoria sp. Byeng Wha Son, Jung Chul Kim, Sang Mi Lee, Yong Jin Cho, Jin Seok Choi, Hong Dae Choi, Jin Cherl Song Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 19 . soya-cerebroside I 相似度:63.3% China Journal of Chinese Materia Medica 2002 27 363-364 Studies on Chemical Constituents in Herba of Lysimachia davurica TIAN jingkui, ZOU Zhongmei, XU Lizhen, YANG Shilin Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 20 . N-palmitoyl-D-erythro-(2S,3R)-octadecasphinga-4(E),8(E),10(E)-trienine C34H63NO3 相似度:63.3% Journal of Natural Products 1995 Vol 58 Isolation of New Ceramides from the Gorgonian Acabaria undulata Jongheon Shin, Youngwan Seo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 21 . agelasphin-11 C49H97NO10 相似度:63.3% Tetrahedron 1994 50 2771-2784 Agelasphins, novel antitumor and immunostimulatory cerebrosides from the marine sponge Agelas mauritianus Takenori Natori, Masahiro Morita, Kohji Akimoto, Yasuhiko Koezuka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 22 . (2S,3S,4R)-2-hexacosanoylamino-1-O-(6-O-methyl-5a-carba-α-D-galactopyranosyl)octadecane-1,3,4-triol C52H101NO8 相似度:63.3% Bioorganic & Medicinal Chemistry 2009 17 6360-6373 RCAI-37, 56, 59, 60, 92, 101, and 102, cyclitol and carbasugar analogs of KRN7000: Their synthesis and bioactivity for mouse lymphocytes to produce Th1-biased cytokines Takuya Tashiro, Ryusuke Nakagawa, Takatsugu Hirokawa, Sayo Inoue, Hiroshi Watarai, Masaru Taniguchi, Kenji Mori Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 23 . compound 14 C238H462Br14N14O28 相似度:63.3% Molecules 2011 16 1508-1518 Polycationic Glycosides Robert Engel, Ishrat Ghani, Diego Montenegro, Marie Thomas, Barbara Klaritch-Vrana, Alejandra Castaño, Laura Friedman, Jay Leb, Leah Rothman, Heidi Lee, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 24 . paxillamide C42H85NO6 相似度:62.0% Helvetica Chimica Acta 2004 Vol. 87 1483 Paxillamide: a Novel Phytosphingosine Derivative from the Fruiting Bodies of Paxillus panuoides Jin-Ming Gao, An-Ling Zhang, Cun-Li Zhang, and Ji-kai Liu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 25 . tornabeatin B C24H42O3 相似度:62.0% Phytochemistry 2004 65 2605-2612 The tornabeatins, four tetrahydro-2-furanone derivatives from the lichenized ascomycete Tornabea scutellifera (With.) J.R. Laundon Tomáš Řezanka, Marina Temina, Lumír Hanuš, Valery M. Dembitsky Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 26 . N-palmitoyl-octadecasphinga-4(E),8(E)-dienine C34H65NO3 相似度:62.0% Journal of Natural Products 1995 Vol 58 Isolation of New Ceramides from the Gorgonian Acabaria undulata Jongheon Shin, Youngwan Seo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 27 . compound 10/11 相似度:62.0% Phytochemistry 1995 40 543-554 n-alkenylpyrogallol dimethyl ethers, aliphatic diol monoesters and some minor ether lipids from Botryococcus braunii a race P. Metzger, Y. Pouet Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 28 . β-D-Galactopyranosyl-(1→1)-4,6-di-O-palmitate-α-D-mannopyranoside C44H82O13 相似度:62.0% Bioorganic & Medicinal Chemistry 2011 19 4803-4811 Synthesis, gp120 binding and anti-HIV activity of fatty acid esters of 1, 1-linked disaccharides Stewart Bachan, Jacques Fantini, Anjali Joshi, Himanshu Garg, David R. Mootoo Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 29 . β-GalCer 相似度:62.0% Bioorganic & Medicinal Chemistry Letters 2006 16 2195-2199 Synthesis and biological evaluation of α-galactosylceramide (KRN7000) and isoglobotrihexosylceramide (iGb3) Chengfeng Xia, Qingjia Yao, Jens Schümann, Emmanuel Rossy, Wenlan Chen, Lizhi Zhu, Wenpeng Zhang, Gennaro De Libero, Peng George Wang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 30 . Pancovioside C48H93NO10 相似度:62.0% Helvetica Chimica Acta 2010 93 2210-2217 New Sphingolipids and Other Constituents of Pancovia laurentii Ferdinand Tantangmo, Bruno Ndjakou Lenta, Silvère Ngouela, Louis Marie Kamdem, Bernard Weniger, Etienne Tsamo, Annelise Lobstein and Catherine Vonthron-Sénécheau Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 31 . PX23 相似度:62.0% Journal of the Chemical Society, Perkin Transactions 1 1996 2651-2656 Preparative transformation of natural phospholipids catalysed by phospholipase D from Streptomyces Paola D'Arrigo, Lorenzo de Ferra, Valentino Piergianni, Antonio Selva, Stefano Servi and Alberto Strini Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 32 . inseparable III+IV 相似度:62.0% Bulletin of the Korean Chemical Society 2000 21 1138-1140 New Diacylgalactolipids from the Marine Cyanophycean Microalga Oscillatoria sp. Byeng Wha Son, Jung Chul Kim, Sang Mi Lee, Yong Jin Cho, Jin Seok Choi, Hong Dae Choi, Jin Cherl Song Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 33 . (2'S,3'S,4'R)-2-O-(2'-hexacosanoylamino-3',4'-dihydroxyoctadecyl)-neo-inositol C50H99NO9 相似度:62.0% Bioorganic & Medicinal Chemistry 2009 17 6360-6373 RCAI-37, 56, 59, 60, 92, 101, and 102, cyclitol and carbasugar analogs of KRN7000: Their synthesis and bioactivity for mouse lymphocytes to produce Th1-biased cytokines Takuya Tashiro, Ryusuke Nakagawa, Takatsugu Hirokawa, Sayo Inoue, Hiroshi Watarai, Masaru Taniguchi, Kenji Mori Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 34 . (2S,3S,4R)-1-O-(5a-Carba-α-D-galactopyranosyl)-2-hexacosanoylaminooctadecane-1,3,4-triol C51H101NO8 相似度:62.0% Bioorganic & Medicinal Chemistry 2009 17 6360-6373 RCAI-37, 56, 59, 60, 92, 101, and 102, cyclitol and carbasugar analogs of KRN7000: Their synthesis and bioactivity for mouse lymphocytes to produce Th1-biased cytokines Takuya Tashiro, Ryusuke Nakagawa, Takatsugu Hirokawa, Sayo Inoue, Hiroshi Watarai, Masaru Taniguchi, Kenji Mori Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 35 . N-hexacosanosyl-β-D-glucopyranosyl-(1-1')-phytosphingosine 相似度:61.2% Phytochemistry 1997 45 1213-1215 Glycolipids from Mirabilis himalaica Guo-Lin Zhang, Qi-Yi Xing, Ming-Zhe Zhang Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 36 . Compound 5 C44H83NO9 相似度:61.2% Bioorganic & Medicinal Chemistry Letters 2010 20 3475-3478 Synthesis and biological activity of α-glucosyl C24:0 and C20:2 ceramides Peter J. Jervis, Natacha Veerapen, Gabriel Bricard, Liam R. Cox, Steven A. Porcelli, Gurdyal S. Besra Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 37 . soyacerebroside II 相似度:61.2% Chinese Pharmaceutical Journal 2008 43 971-973 Studies on Chemical Constituents of Acetyl Acetate Extracted Fraction from Veratrum dahuricum NIE Li-yue TANG Jian~LI Hui-liang JIN Hui-zi ZHANG Wei-dong Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 38 . phalluside 4 C42H77NO9 相似度:61.2% Tetrahedron 1998 54 14597-14602 Phallusides, new glucosphingolipids from the ascidian Phallusia fumigata Rosario Durán, Eva Zubía, María J. Ortega, Santiago Naranjo, Javier Salvá Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 39 . (2S,3R,4E,8E)-[(2'R)-2'-hydroxyheptadecanoylamino]-4,8-octadecadiene-1,3-diol C35H67NO4 相似度:60.6% Chemical & Pharmaceutical Bulletin 2005 53(2) 168-171 New Sphingolipids and a Sterol from a Lobophytum Species of the Indian Ocean Pendyala MURALIDHAR, Muthyala Muralikrishna KUMAR,Nallamothu KRISHNA,Chaganty Bheemasankara RAO, and Desaraju Venkata RAO Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 40 . 1-O-β-D-glucopyranosyl-(2S,3R,4E,8Z)-2-N-(2'-hydroxypalmitoyl)octadecasphinga-4,8-dienine C40H75NO9 相似度:60% Journal of Natural Products 1997 60 274-276 New Antihepatotoxic Cerebroside from Lycium chinense Fruits Sun Yeou Kim, Young-Hee Choi, Hoon Huh, Jinwoong Kim, Young Choong Kim, and Heum Sook Lee Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 41 . 1,2-Di-O-9Z-octadecenoyl-sn-glycero-3-phosphorylcholine 相似度:60% Archives of Pharmacal Research 2003 26 471-477 Phospholipids from Bombycis corpus and their neurotrophic effects Hak Cheol Kwon, I Yeon Jung, Se Yeon Cho, Ock Ryun Cho and Min Cheol Yang, et al. Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 42 . agelasphin-13 C50H99NO10 相似度:60% Tetrahedron 1994 50 2771-2784 Agelasphins, novel antitumor and immunostimulatory cerebrosides from the marine sponge Agelas mauritianus Takenori Natori, Masahiro Morita, Kohji Akimoto, Yasuhiko Koezuka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 43 . 1,3,5-trihydroxy-2-hexadecanoylamino-(6E,9E)-heptacosdiene-1-O-glucopyranoside C48H91NO9 相似度:59.3% Chemical & Pharmaceutical Bulletin 2002 50(12) 1558-1560 Novel Sphingolipids from Conyza canadensis Naveen MUKHTAR, Kiran IQBAL, and Abdul MALIK Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 44 . 14-hydroxy CAF-603 oleate C33H58O4 相似度:59.3% Journal of Natural Products 1995 Vol 58 L-735,334, a Novel Sesquiterpenoid Potassium Channel-Agonist from Trichoderma virens Seok H. Lee, Otto D. Hensens, Gregory L. Helms, Jerrold M. Liesch, Deborah L. Zink, Robert A. Giacobbe, Gerald F. Bills, Siobhan Stevens-Miles, Maria L. Garcia, William A. Schmalhofer, Owen B. McManus, Gregory J. Kaczorowski Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 45 . digitoxigenin palmitate C39H64O5 相似度:59.3% Phytochemistry 1990 29 837-843 Biotransformation of digitoxigenin by ginseng hairy root cultures Kiichiro Kawaguchi,Masao Hirotani,Takafumi Yoshikawa,Tsutomu Furuya Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 46 . AGL-584 C56H108NO14 相似度:59.3% Bioorganic & Medicinal Chemistry 1997 5 2245-2249 Immunostimulatory activities of monoglycosylated α-d-pyranosylceramides Akira Uchimura, Toshiyuki Shimizu, Masahiro Morita, Hitomi Ueno, Kazuhiro Motoki, Hideaki Fukushima, Takenori Natori, Yasuhiko Koezuka Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 47 . (Z)-(2'R)-1-O-(2'-hydroxynonadec-10'-enyl)-2,3-O-isopropylidene-sn-glycerol and (Z)-(2'S)-1-O-(2'-hydroxynonadec-10'-enyl)-2,3-O-isopropylidene-sn-glycerol C25H48O4 相似度:59.3% Tetrahedron 2012 68 2973-2983 Synthesis of (Z)-(2'R)-1-O-(2'-methoxynonadec-10'-enyl)-sn-glycerol, a new analog of bioactive ether lipids René Pemha, Dieudonné Emmanuel Pegnyemb, Paul Mosset Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 48 . vibratilicin C43H80N2O7 相似度:58.8% Helvetica Chimica Acta 2004 Vol. 87 1912 Vibratilicin: a Novel Compound from the Basidiomycete Cortinarius vibratilis Fei Wang, Jian-Wen Tan, and Ji-Kai Liu Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 49 . termitomycesphin C C41H77NO10 相似度:58.8% Tetrahedron 2000 56 5835-5841 Termitomycesphins A-D, Novel Neuritogenic Cerebrosides from the Edible Chinese Mushroom Termitomyces albuminosus Jianhua Qi, Makoto Ojika, Youji Sakagami Structure 13C NMR 碳谱模拟图 -------------------------------------------------------------------------------- 50 . termitomycesphin D C43H81NO10 相似度:58.8% Tetrahedron 2000 56 5835-5841 Termitomycesphins A-D, Novel Neuritogenic Cerebrosides from the Edible Chinese Mushroom Termitomyces albuminosus Jianhua Qi, Makoto Ojika, Youji Sakagami Structure 13C NMR 碳谱模拟图 |
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