input word = C00051447

Metabolite InformationStructural formula
Name Malonylginsenoside Rc
Malonylginsenoside Rd
Formula C56H92O25
Mw 1164.59276849
CAS RN 88140-36-7
C_ID C00051447
InChIKey ZHSAFZGWPZXYTG-MCWJCUBMNA-N
InChICode InChI=1S/C56H92O25/c1-24(2)10-9-14-56(8,81-50-46(72)42(68)40(66)30(78-50)23-74-48-44(70)38(64)28(21-58)75-48)25-11-16-55(7)36(25)26(59)18-32-53(5)15-13-33(52(3,4)31(53)12-17-54(32,55)6)79-51-47(43(69)37(63)27(20-57)76-51)80-49-45(71)41(67)39(65)29(77-49)22-73-35(62)19-34(60)61/h10,25-33,36-51,57-59,63-72H,9,11-23H2,1-8H3,(H,60,61)/t25-,26+,27+,28-,29+,30+,31-,32+,33-,36-,37+,38-,39+,40+,41-,42-,43-,44+,45+,46+,47+,48+,49-,50-,51-,53-,54+,55+,56-/m0/s1
SMILES CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](COC(=O)COC=O)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.japonicus Ref.
PlantaeAraliaceaePanax quinquefolium Ref.
PlantaeCucurbitaceaeGynostemma pentaphyllum Ref.
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OrganismGynostemma pentaphyllum
ReferenceYin, et al., Modern Study of Chinese Drugs and Clinical Applications (1), Xueyuan Press, Beijing, (1993).

Wang, et al., China Journal of Chinese Materia Medica(Zhongguo Zhongyao Zazhi), 18, (1993), 105.

Chen, Liu, et al., Determination of Effective Components in Traditional Chinese medicines, People's Medical Publishing House, Beijing, (2009)