input word = C00051014

Metabolite InformationStructural formula
Name Isovouacapenol B
Formula C27H34O5
Mw 438.2406242
CAS RN 455255-14-8
C_ID C00051014
InChIKey AJGZFQDMKBTWTH-XUZCQJHXNA-N
InChICode InChI=1S/C27H34O5/c1-24(2)12-8-13-25(3)19-15-21-18(11-14-31-21)26(4,29)20(19)16-22(27(24,25)30)32-23(28)17-9-6-5-7-10-17/h5-7,9-11,14,19-20,22,29-30H,8,12-13,15-16H2,1-4H3/t19-,20+,22+,25+,26+,27+/m0/s1
SMILES CC1(C)CCC[C@]2(C)[C@H]3Cc4occc4[C@@](C)(O)[C@@H]3C[C@@H](OC(=O)c3ccccc3)[C@@]12O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
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