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 CC(C)=CC[C@@H]1CC23C[C@H](/C=C/C(C)(C)O)C(C)(C)OC2=C(C(=O)c2ccc(O)c(O)c2)C(=O)[C@@](CC=C(C)C)(C3=O)C1(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae-GuttiferaeMoronobea coccinea Ref.
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