input word = C00047154

Metabolite InformationStructural formula
Name 7-Methoxygambogellic acid
(-)-7-Methoxygambogellic acid
Formula C39H46O9
Mw 658.31418307
CAS RN 1097882-27-3
C_ID C00047154 ,
InChIKey ADCLULBCVNNGML-FYWRQNOVNA-N
InChICode InChI=1S/C39H46O9/c1-19(2)10-11-23-31-27(24-16-36(8,46-31)14-13-22(24)20(3)4)30(41)28-29(40)25-17-37(45-9)18-26-35(6,7)48-38(34(37)44,15-12-21(5)33(42)43)39(25,26)47-32(23)28/h10,12,17,22,24,26,41H,3,11,13-16,18H2,1-2,4-9H3,(H,42,43)/b21-12-/t22-,24+,26-,36+,37-,38-,39+/m0/s1
SMILES C1C[C@H]([C@@H]2c3c(O[C@]1(C2)C)c(c1c(c3O)C(=O)C2=C[C@@]3(C[C@@H]4[C@@]2(O1)[C@@](OC4(C)C)(C3=O)C/C=C(/C)\C(=O)O)OC)CC=C(C)C)C(=C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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OrganismGarcinia hanburyi
ReferenceTao,J.Nat.Prod.,72,(2009),117