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 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]1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)CO)(C)CCC=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[C@@H]1[C@@H]([C@@H]([C@@H](CO1)O)O)O)O)O)CO
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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