input word = C00048353

Metabolite InformationStructural formula
Name Coccinone A
(+)-Coccinone A
Formula C38H50O6
Mw 602.36073933
CAS RN 1141871-31-9
C_ID C00048353 ,
InChIKey GMGOIMBTFUZMKT-USGWJJERNA-N
InChICode InChI=1S/C38H50O6/c1-22(2)10-12-25-19-37-20-26-15-16-34(5,6)21-36(26,9)44-32(37)29(30(41)24-11-13-27(39)28(40)18-24)31(42)38(33(37)43,35(25,7)8)17-14-23(3)4/h10-11,13-14,18,25-26,39-40H,12,15-17,19-21H2,1-9H3/t25-,26-,36-,37+,38+/m0/s1
SMILES [C@]12(C([C@H](C[C@@]3(C(=C(C1=O)C(=O)c1ccc(c(c1)O)O)O[C@@]1([C@H](C3)CCC(C1)(C)C)C)C2=O)CC=C(C)C)(C)C)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae-GuttiferaeMoronobea coccinea Ref.
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OrganismMoronobea coccinea
ReferenceMarti,Phytochem.,70,(2009),75