input word = C00040882

Metabolite InformationStructural formula
Name Astraverrucin IV
(+)-Peregrinoside I
Formula C42H70O14
Mw 798.47655695
CAS RN 220997-48-8
C_ID C00040882 ,
InChIKey MVOZKCSOZSGLSW-REPGHPAXNA-N
InChICode InChI=1S/C42H70O14/c1-19-26(46)27(47)29(49)34(52-19)55-31-22(17-43)53-35(30(50)28(31)48)54-24-10-12-42-18-41(42)14-13-38(6)33(40(8)11-9-25(56-40)37(4,5)51)21(45)16-39(38,7)23(41)15-20(44)32(42)36(24,2)3/h19-35,43-51H,9-18H2,1-8H3/t19-,20-,21-,22+,23-,24-,25-,26-,27+,28+,29+,30+,31-,32-,33-,34-,35-,38+,39-,40+,41-,42+/m0/s1
SMILES C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O[C@H]3CC[C@]45C[C@]46CC[C@]4(C)[C@@H]([C@@]7(C)CC[C@@H](C(C)(C)O)O7)[C@@H](O)C[C@@]4(C)[C@@H]6C[C@H](O)[C@H]5C3(C)C)O[C@@H]2CO)[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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