input word = C00012594

Metabolite InformationStructural formula
Name [7'R(R)]-7'-Deoxo-16-hydroxy-7'-(1-hydroxyethyl)verrucarin A
Formula C29H40O10
Mw 548.2621475
CAS RN 87532-28-3
C_ID C00012594 ,
InChIKey BPVFXPOATQQMEH-JVAOWIGNNA-N
InChICode InChI=1S/C29H40O10/c1-18-8-11-36-29(34,19(2)31)9-5-4-6-24(32)39-21-14-23-28(17-37-28)26(21,3)27(16-35-25(33)12-18)10-7-20(15-30)13-22(27)38-23/h4-6,9,13,18-19,21-23,30-31,34H,7-8,10-12,14-17H2,1-3H3/b6-4-,9-5+/t18-,19-,21-,22-,23?,26-,27-,28+,29-/m1/s1
SMILES C\1=C/C=C\C(=O)O[C@H]2[C@@]3([C@]4(COC(=O)C[C@@H](CCO[C@]1([C@H](O)C)O)C)[C@H](O[C@@H]([C@]13CO1)C2)C=C(CC4)CO)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeAsteraceaeBaccharis megapotamica Ref.
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OrganismBaccharis megapotamica
ReferenceJarvis,J.Org.Chem.,52,(1987),45