input word = C00012587

Metabolite InformationStructural formula
Name [7'R(S),9R,10S]-2',3'-Didehydro-7'-deoxo-2'-deoxy-9,10-epoxy-9,10-dihydro-4'-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Formula C29H38O10
Mw 546.24649744
CAS RN 105617-46-7
C_ID C00012587 ,
InChIKey BCMTZUVSXCMEJH-GPNFXWCKNA-N
InChICode InChI=1S/C29H38O10/c1-16-11-23(33)35-14-28-10-9-26(3)24(39-26)25(28)38-21-12-20(27(28,4)29(21)15-36-29)37-22(32)8-6-5-7-19(17(2)30)34-13-18(16)31/h5-8,11,17-21,24-25,30-31H,9-10,12-15H2,1-4H3/b7-5+,8-6+,16-11+/t17-,18-,19-,20+,21+,24-,25-,26+,27+,28-,29+/m1/s1
SMILES C/C1=CC(=O)OCC23CCC4(C)OC4C2OC2CC(OC(=O)/C=C/C=C/C(C(C)O)OCC1O)C3(C)C21CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis megapotamica Ref.
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