input word = C00029995

Metabolite InformationStructural formula
Name Cochinchinone A
Formula C28H32O5
Mw 448.22497413
CAS RN 878755-43-2
C_ID C00029995 ,
InChIKey ZHJQVNDLFGICFY-VCHYOVAHSA-N
InChICode InChI=1S/C28H32O5/c1-16(2)7-6-8-18(5)10-13-21-25(30)20(12-9-17(3)4)26(31)24-27(32)22-15-19(29)11-14-23(22)33-28(21)24/h7,9-11,14-15,29-31H,6,8,12-13H2,1-5H3/b18-10+
SMILES c12c(c(=O)c3c(o1)ccc(c3)O)c(c(c(c2C/C=C(\C)/CCC=C(C)C)O)CC=C(C)C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeCratoxylum cochinchinense Ref.
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OrganismCratoxylum cochinchinense
ReferenceLaphookhieo,Chem.Pharm.Bull.,54,(2006),745