input word = C00013767

Metabolite InformationStructural formula
Name Astrasikokioside I
Desacyl gladiatoside B
Kaempferol 3-rhamnosyl-(1->6)-[rhamnosyl-(1->2)-galactoside]-7-rhamnoside
Formula C39H50O23
Mw 886.27428791
CAS RN 266996-10-5
C_ID C00013767 ,
InChIKey HRPKYCPCIPYAQZ-JKRHQROQNA-N
InChICode InChI=1S/C39H50O23/c1-11-21(42)26(47)30(51)36(55-11)54-10-19-24(45)29(50)35(62-38-32(53)28(49)23(44)13(3)57-38)39(60-19)61-34-25(46)20-17(41)8-16(58-37-31(52)27(48)22(43)12(2)56-37)9-18(20)59-33(34)14-4-6-15(40)7-5-14/h4-9,11-13,19,21-24,26-32,35-45,47-53H,10H2,1-3H3/t11-,12+,13-,19-,21-,22-,23-,24-,26+,27-,28+,29-,30-,31-,32-,35-,36+,37-,38-,39-/m0/s1
SMILES c1c(ccc(c1)O)c1oc2c(c(=O)c1O[C@H]1[C@H]([C@H]([C@H]([C@@H](O1)CO[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)O)O)O[C@H]1[C@H]([C@@H]([C@H]([C@@H](O1)C)O)O)O)c(cc(c2)O[C@H]1[C@H]([C@H]([C@H]([C@H](O1)C)O)O)O)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus shikokianus Ref.
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