input word = C00040883

Metabolite InformationStructural formula
Name Astraverrucin V
(+)-Astraverrucin V
Formula C44H72O15
Mw 840.48712163
CAS RN 220997-49-9
C_ID C00040883 ,
InChIKey LGKAGWLVEGCQQV-VENZIQLANA-N
InChICode InChI=1S/C44H72O15/c1-20-28(49)29(50)30(51)36(54-20)58-32-24(18-45)56-37(31(52)33(32)55-21(2)46)57-26-11-13-44-19-43(44)15-14-40(7)35(42(9)12-10-27(59-42)39(5,6)53)23(48)17-41(40,8)25(43)16-22(47)34(44)38(26,3)4/h20,22-37,45,47-53H,10-19H2,1-9H3/t20-,22-,23-,24+,25-,26-,27-,28-,29+,30+,31+,32+,33-,34-,35-,36-,37-,40+,41-,42+,43-,44+/m0/s1
SMILES CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2CC[C@]34C[C@]35CC[C@]3(C)[C@@H]([C@@]6(C)CC[C@@H](C(C)(C)O)O6)[C@@H](O)C[C@@]3(C)[C@@H]5C[C@H](O)[C@H]4C2(C)C)O[C@H](CO)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeAstragalus verrucosus Ref.
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OrganismAstragalus verrucosus
ReferencePistelli,Phytochem.,49,(1998),2467