input word = C00051013

Metabolite InformationStructural formula
Name Isovouacapenol A
Formula C27H32O4
Mw 420.23005951
CAS RN 455255-13-7
C_ID C00051013
InChIKey CAKOAOJDETWCQH-UCODKGSLNA-N
InChICode InChI=1S/C27H32O4/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/h5-7,9-11,14,20-21,23,29H,1,8,12-13,15-16H2,2-4H3/t20-,21-,23+,26+,27+/m0/s1
SMILES C=C1c2ccoc2C[C@H]2[C@H]1C[C@@H](OC(=O)c1ccccc1)[C@@]1(O)C(C)(C)CCC[C@]21C
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