input word = C00044823

Metabolite InformationStructural formula
Name Isogarcinol 13-O-methyl ether
Formula C39H52O6
Mw 616.37638939
CAS RN 499770-38-6
C_ID C00044823 ,
InChIKey KMXJENAJTXOUOJ-DROTZBSCNA-N
InChICode InChI=1S/C39H52O6/c1-23(2)12-15-27-21-38-22-28(16-13-24(3)4)37(9,10)45-34(38)31(32(41)26-14-17-29(40)30(20-26)44-11)33(42)39(35(38)43,36(27,7)8)19-18-25(5)6/h12-14,17-18,20,27-28,40H,15-16,19,21-22H2,1-11H3/t27-,28+,38-,39?/m1/s1
SMILES [C@@]12(C([C@@H](C[C@@]3(C(=C(C1=O)C(=O)c1ccc(c(c1)OC)O)OC([C@H](C3)CC=C(C)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/Clusiaceae-GuttiferaeGarcinia assigu Ref.
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OrganismGarcinia assigu
ReferenceIto,J.Nat.Prod.,66,(2003),206