input word = C00048354

Metabolite InformationStructural formula
Name Coccinone B
(-)-Coccinone B
Formula C38H50O7
Mw 618.35565395
CAS RN 1141870-93-0
C_ID C00048354 ,
InChIKey JLAFCMSSCDCWHQ-CKZVVRLDNA-N
InChICode InChI=1S/C38H50O7/c1-22(2)11-13-25-20-37-21-26(16-17-34(5,6)44)36(9,10)45-32(37)29(30(41)24-12-14-27(39)28(40)19-24)31(42)38(33(37)43,35(25,7)8)18-15-23(3)4/h11-12,14-17,19,25-26,39-40,44H,13,18,20-21H2,1-10H3/b17-16+/t25-,26+,37+,38+/m1/s1
SMILES [C@@]12(C([C@@H](C[C@]3(C(=C(C1=O)C(=O)c1ccc(c(c1)O)O)OC([C@H](C3)/C=C/C(C)(C)O)(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