input word = C00040884

Metabolite InformationStructural formula
Name Astraverrucin VI
(+)-Astraverrucin VI
Formula C44H72O15
Mw 840.48712163
CAS RN 220997-50-2
C_ID C00040884 ,
InChIKey MCUPNVMJFFKKSS-VENZIQLANA-N
InChICode InChI=1S/C44H72O15/c1-20-28(48)29(49)31(51)36(55-20)58-33-24(18-54-21(2)45)56-37(32(52)30(33)50)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(47)17-41(40,8)25(43)16-22(46)34(44)38(26,3)4/h20,22-37,46-53H,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)OC[C@H]1O[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)[C@H](O)[C@@H](O)[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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