input word = C00030842

Metabolite InformationStructural formula
Name Notoginsenoside Fa
Formula C59H100O27
Mw 1240.64519799
CAS RN 88100-04-3
C_ID C00030842 ,
InChIKey HERICYNRBVMDFO-UHFFFAOYNA-N
InChICode InChI=1S/C59H100O27/c1-24(2)10-9-14-59(8,86-52-47(76)42(71)40(69)31(82-52)23-78-50-46(75)41(70)37(66)28(19-60)79-50)25-11-16-58(7)35(25)26(63)18-33-56(5)15-13-34(55(3,4)32(56)12-17-57(33,58)6)83-53-48(43(72)38(67)29(20-61)80-53)85-54-49(44(73)39(68)30(21-62)81-54)84-51-45(74)36(65)27(64)22-77-51/h10,25-54,60-76H,9,11-23H2,1-8H3/t25-,26+,27+,28-,29+,30-,31+,32+,33-,34+,35-,36+,37-,38+,39-,40+,41+,42+,43-,44+,45+,46-,47+,48-,49-,50-,51+,52+,53-,54+,56+,57-,58+,59-/m0/s1
SMILES CC(C)=CCCC(C)(OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4OC4OCC(O)C(O)C4O)C(C)(C)C3CCC12C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax japonicus Ref.
PlantaeAraliaceaePanax notoginseng Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.japonicus Ref.
PlantaeAraliaceaePanax pseudo-ginseng var.notoginseng Ref.
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OrganismPanax pseudo-ginseng var.japonicus
ReferenceZou, et al., JNP, 65, (2002), 1288.

Yoshikawa, et al., JNP, 66, (2003), 922