input word = C00030257

Metabolite InformationStructural formula
Name Floralginsenoside D
Formula C41H70O15
Mw 802.47147157
CAS RN 942586-99-4
C_ID C00030257 ,
InChIKey IUHBPCFXZYBDIY-HJRQIGPENA-N
InChICode InChI=1S/C41H70O15/c1-35(2,56-51)12-9-13-40(8,55-33-30(48)29(47)28(46)24(54-33)18-52-34-32(49)41(50,19-42)20-53-34)21-10-15-38(6)27(21)22(43)16-25-37(5)14-11-26(45)36(3,4)31(37)23(44)17-39(25,38)7/h9,12,21-34,42-51H,10-11,13-20H2,1-8H3/b12-9+/t21-,22+,23-,24+,25+,26-,27-,28-,29-,30+,31-,32-,33-,34+,37+,38+,39+,40-,41+/m0/s1
SMILES CC(C)(/C=C/C[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[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(C)(C)[C@@H]3[C@@H](O)C[C@]12C)OO
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAraliaceaePanax ginseng Ref.
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OrganismPanax ginseng
ReferenceYoshikawa,Chem.Pharm.Bull.,55,(2007),571