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qsar_gucas

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qsar_gucas: 金币+8, ★★★★★最佳答案 2014-07-08 19:15:28

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

溶剂选项：
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41个化合物(查询结果仅供参考)
1 .    1-methyl malate
相似度:100%
Archives of Pharmacal Research       2001       24       51-54
Monoamine oxidase B inhibitors from the fruits of Opuntia ficus-indica var. saboten
Yong Nam Han, Yeunsu Choo, Young-Chul Lee, Young-In Moon and Sung-Dae Kim, et al.
Structure    13C NMR 碳谱模拟图
2 .    1,4-dimethylmalate
相似度:100%
Bioscience, Biotechnology, and Biochemistry       2010       74       573-578
1-Methylmalate from Camu-Camu (Myrciaria dubia) Suppressed D-Galactosamine-Induced Liver Injury in Rats
Toshiyuki AKACHI, Yasuyuki SHIINA, Takumi KAWAGUCHI, Hirokazu KAWAGISHI, Tatsuya MORITA and Kimio SUGIYAMA
Structure    13C NMR 碳谱模拟图
3 .    2-hydroxyl-butanedioic acid 4-methyl ester
C5H8O5    相似度:100%
Journal of Chinese Medicinal Materials       2009       32       1388-1390
Studies on the Chemical Constituents of Chaenomeles speciosa
YANG Ying-bo, YANG Yang, LI Xia, YANG Zhen, WU Zhi-jun, ZHENG You-lan, SUN Lian-na
Structure    13C NMR 碳谱模拟图
4 .    2-hydroxy-butandioic acid 1-methylester
相似度:100%
Journal of Tropical and Subtropical Botany       2013       21       69-72
Antibacterial Components from the Twigs of Aglaia odorata var. microphyllina
LIU Shuai, MEI Wen-li, ZUO Wen-jian, WANG Hui, WANG Jian, DAI Hao-fu,
Structure    13C NMR 碳谱模拟图
5 .    methyl 3-hydroxylbutanedioic ester
C5H8O5    相似度:80%
Acta Botanica Boreali-Occidentalia Sinica       2007       27       0831-0833
Chemical Components of Chaenomeles speciosa (Sweet) Nakai
SONG Ya-ling, FENG Zhi-bing, CHENG Yong-xian, GAO Jin-ming
Structure    13C NMR 碳谱模拟图
6 .    L-(-)-malic acid
C4H6O5    相似度:80%
China Journal of Chinese Materia Medica       2005       30       1824-1826
Study on chemical constituents from Opuntia dillenii
QIU Yingkun, DOU Deqiang, PEI Yuping, YOSHIKAWA Masayuki, MATSUDA Hisashi, CHEN Yingjie
Structure    13C NMR 碳谱模拟图
7 .    dimethyltetrahydrofuran cis-2,5-dicarboxylate
相似度:80%
Archives of Pharmacal Research       1998       21       787-789
A furan derivative fromCornus officinalis
Dae Keun Kim and Jong Hwan Kwak
Structure    13C NMR 碳谱模拟图
8 .    dimethyl malate
C6H10O5    相似度:66.6%
Chinese Journal of Natural Medicines       2011       9       115-119
Chemical Constituents of Toona ciliata var. pubescens
LIU Yu-Bo, CHENG Xiang-Rong, QIN Jiang-Jiang, YAN Shi-Kai, JIN Hui-Zi *, ZHANG Wei-Dong
Structure    13C NMR 碳谱模拟图

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