input word = C00051015

Metabolite InformationStructural formula
Name Isovouacapenol D
Formula C27H30O4
Mw 418.21440945
CAS RN 455255-16-0
C_ID C00051015
InChIKey IEHCQOHUOBIHHN-LZYXYALSNA-N
InChICode InChI=1S/C27H30O4/c1-17-19-11-14-30-22(19)16-21-20(17)15-23(31-24(28)18-9-6-5-7-10-18)27(29)25(2,3)12-8-13-26(21,27)4/h5-7,9-11,14,16,23,29H,8,12-13,15H2,1-4H3/t23-,26-,27-/m1/s1
SMILES Cc1c2c(cc3occc13)[C@@]1(C)CCCC(C)(C)[C@]1(O)[C@H](OC(=O)c1ccccc1)C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeFabaceaeCaesalpinia pulcherrima Ref.
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OrganismCaesalpinia pulcherrima
ReferenceRagasa, et al., Journal of Natural Products, 65, (2002), 1107