input word = C00044780

Metabolite InformationStructural formula
Name Garcinol 13-O-methyl ether
(-)-Garcinol 13-O-methyl ether
Formula C39H52O6
Mw 616.37638939
CAS RN 499770-40-0
C_ID C00044780 ,
InChIKey IRGODUUTQDWGCW-XHCFANCJNA-N
InChICode InChI=1S/C39H52O6/c1-23(2)12-14-28(26(7)8)21-38-22-29(16-13-24(3)4)37(9,10)39(36(38)44,19-18-25(5)6)35(43)32(34(38)42)33(41)27-15-17-30(40)31(20-27)45-11/h12-13,15,17-18,20,28-29,40,42H,7,14,16,19,21-22H2,1-6,8-11H3/t28-,29+,38+,39-/m0/s1
SMILES [C@H]1(C[C@@]2(C(=C(C(=O)[C@](C1(C)C)(C2=O)CC=C(C)C)C(=O)c1cc(c(cc1)O)OC)O)C[C@H](CC=C(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