input word = C00012597

Metabolite InformationStructural formula
Name (2'S,3'R,4'S,7'R,9R,10S)-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-4'-hydroxy-7'-[(1R)-1-hydroxyethyl]verrucarin A
Formula C29H38O11
Mw 562.24141206
CAS RN 61251-97-6
C_ID C00012597 ,
InChIKey OWTHOXJRXVFEKK-CGXWXWIYNA-N
InChICode InChI=1S/C29H38O11/c1-15(30)16-7-5-6-8-20(32)37-18-11-29(19-13-35-19)27(18,4)28(10-9-25(2)21(38-25)22(28)40-29)14-36-24(33)23-26(3,39-23)17(31)12-34-16/h5-8,15-19,21-23,30-31H,9-14H2,1-4H3/b7-5-,8-6+/t15-,16+,17+,18-,19+,21-,22+,23+,25+,26-,27-,28+,29-/m0/s1
SMILES CC(O)C1/C=CC=CC(=O)OC2CC3(C4CO4)OC4C5OC5(C)CCC4(COC(=O)C4OC4(C)C(O)CO1)C23C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis megapotamica Ref.
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