input word = C00012582

Metabolite InformationStructural formula
Name [4'R,7'R(R),8R]-7'-Deoxo-2'-deoxy-4',8-dihydroxy-7'-(1-hydroxyethyl)verrucarin A
Baccharanoid B1
Baccharin B1
Baccharinoid B 1
Baccharol
Formula C29H40O10
Mw 548.2621475
CAS RN 71695-69-7
C_ID C00012582 ,
InChIKey PYYBXMVTBWYBDY-KQQUZDAGNA-N
InChICode InChI=1S/C29H40O10/c1-16-9-23-28(12-19(16)31)14-36-26(34)10-17(2)20(32)13-35-21(18(3)30)7-5-6-8-25(33)39-22-11-24(38-23)29(15-37-29)27(22,28)4/h5-9,17-24,30-32H,10-15H2,1-4H3/b7-5+,8-6+/t17-,18+,19+,20-,21-,22-,23+,24-,27-,28+,29+/m0/s1
SMILES CC1=CC2OC3CC4OC(=O)/C=C/C=C/C(C(C)O)OCC(O)C(C)CC(=O)OCC2(CC1O)C4(C)C31CO1
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis megapotamica Ref.
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