input word = C00012595

Metabolite InformationStructural formula
Name (2'E,8R)-2',3'-Didehydro-2'-deoxy-4',8-dihydroxyverrucarin A
Baccharinoid B 25
Formula C27H32O10
Mw 516.19954724
CAS RN 105581-68-8
C_ID C00012595 ,
InChIKey GKORWPRIZHZJNF-REUTWTPKNA-N
InChICode InChI=1S/C27H32O10/c1-15-8-20-26(11-17(15)28)13-34-24(32)9-16(2)18(29)12-33-22(30)6-4-5-7-23(31)37-19-10-21(36-20)27(14-35-27)25(19,26)3/h4-9,17-21,28-29H,10-14H2,1-3H3/b6-4+,7-5+,16-9+/t17-,18+,19-,20-,21-,25-,26-,27-/m0/s1
SMILES C\1=C/C=C/C(=O)O[C@@H]2[C@]3([C@@]4(COC(=O)/C=C(/[C@@H](COC1=O)O)\C)[C@@H](O[C@H]([C@]13CO1)C2)C=C([C@H](C4)O)C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis megapotamica Ref.
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OrganismBaccharis megapotamica
ReferenceJavis,J.Org.Chem.,52,(1987),45