input word = C00012616

Metabolite InformationStructural formula
Name [2'S,3'R,7'R(R),9R,10S]-7'-Deoxo-2'-deoxy-2',3':9,10-diepoxy-9,10-dihydro-7'-(1-hydroxyethyl)verrucarin A
Baccharinoid B 17
Formula C29H38O10
Mw 546.24649744
CAS RN 105563-52-8
C_ID C00012616 ,
InChIKey IBFXLTFIVWRUQC-CGXWXWIYNA-N
InChICode InChI=1S/C29H38O10/c1-16(30)17-7-5-6-8-20(31)36-18-13-19-29(15-35-29)27(18,4)28(10-9-25(2)21(38-25)22(28)37-19)14-34-24(32)23-26(3,39-23)11-12-33-17/h5-8,16-19,21-23,30H,9-15H2,1-4H3/b7-5-,8-6+/t16-,17+,18-,19-,21+,22-,23-,25-,26+,27-,28-,29+/m1/s1
SMILES CC(O)C1/C=CC=CC(=O)OC2CC3OC4C5OC5(C)CCC4(COC(=O)C4OC4(C)CCO1)C2(C)C31CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis megapotamica Ref.
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