input word = C00030395

Metabolite InformationStructural formula
Name Ginsenoside Rb2
Formula C53H90O22
Mw 1078.59237456
CAS RN 11021-13-9
C_ID C00030395 ,
InChIKey NODILNFGTFIURN-MIAOILSLNA-N
InChICode InChI=1S/C53H90O22/c1-23(2)10-9-14-53(8,75-47-43(67)39(63)37(61)29(72-47)22-69-45-41(65)34(58)26(57)21-68-45)24-11-16-52(7)33(24)25(56)18-31-50(5)15-13-32(49(3,4)30(50)12-17-51(31,52)6)73-48-44(40(64)36(60)28(20-55)71-48)74-46-42(66)38(62)35(59)27(19-54)70-46/h10,24-48,54-67H,9,11-22H2,1-8H3/t24-,25+,26+,27+,28+,29+,30-,31+,32-,33-,34+,35+,36+,37+,38-,39-,40-,41+,42+,43+,44+,45-,46-,47-,48-,50-,51+,52+,53-/m0/s1
SMILES C1[C@@H](C([C@H]2[C@](C1)([C@@H]1[C@@](CC2)([C@]2([C@H]([C@@H](C1)O)[C@H](CC2)[C@@](O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO[C@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)(CCC=C(C)C)C)C)C)C)(C)C)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)CO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaeAralia elata Ref.
PlantaeAraliaceaePanax ginseng C.A.Meyer Ref.
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.notoginseng Ref.
PlantaeAraliaceaePanax quinquefolium Ref.
PlantaeAraliaceaePanax quinquefolius L. Ref.
PlantaeAraliaceaePanax vietnamensis Ref.
--Panx quinquefolius L. Ref.
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OrganismPanax quinquefolium
ReferenceChoi, et al., Planta Med, 69, (2003), 1001.

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

Yoshikawa, et al., Journal of Natural Products, 66, (2003), 922.

Calixto, et al., Planta Med, 70, (2004), 93.

Chen, et al., Lexicon of Active Componentsin in Plants, Vol1, Medicinal Science and Technology Press of China, Beijing, (2001).

Ji, et al., Pharmacological Action and Application of Available Composition of Traditional Chinese Medicine, Heilongjiang Science and technology Press, Heilongjiang, (1995).

Xu, et al., Acta Pharmaceutica Sinica(Yaoxue Xuebao), 22, (1987), 750.

Ma, et al., Chinese Pharmaceutical Journal(Zhongguo Yaoxue Zazhi), 28, (1993), 718.