input word = C00047248

Metabolite InformationStructural formula
Name Isogambogenin
Formula C38H46O7
Mw 614.32435382
CAS RN 173938-23-3
C_ID C00047248 ,
InChIKey KYPSMUUXSFJTAR-UQWNOTPGNA-N
InChICode InChI=1S/C38H46O7/c1-21(2)10-9-11-23(5)13-15-26-31(40)27(14-12-22(3)4)34-30(32(26)41)33(42)28-18-25-19-29-36(7,8)45-37(35(25)43,38(28,29)44-34)17-16-24(6)20-39/h10,12-13,16,18,20,25,29,40-41H,9,11,14-15,17,19H2,1-8H3/b23-13-,24-16-/t25-,29+,37?,38-/m1/s1
SMILES [C@@H]12C[C@H]3C=C4C(=O)c5c(O[C@@]14[C@@](C3=O)(OC2(C)C)C/C=C(\C=O)/C)c(c(c(c5O)C/C=C(/C)\CCC=C(C)C)O)CC=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