input word = C00047157

Metabolite InformationStructural formula
Name 8,8a-Dihydro-8-hydroxygambogenic acid
(-)-8,8a-Dihydro-8-hydroxygambogenic acid
Formula C38H48O9
Mw 648.32983313
CAS RN 1097190-78-7
C_ID C00047157 ,
InChIKey QYRPARUSUFWOPG-VPJKZDJZNA-N
InChICode InChI=1S/C38H48O9/c1-19(2)10-9-11-21(5)13-15-23-29(39)24(14-12-20(3)4)33-27(30(23)40)32(42)28-31(41)25-18-26-36(7,8)47-37(34(25)43,38(26,28)46-33)17-16-22(6)35(44)45/h10,12-13,16,25-26,28,31,39-41H,9,11,14-15,17-18H2,1-8H3,(H,44,45)/b21-13+,22-16-/t25-,26-,28-,31-,37-,38-/m0/s1
SMILES c1(c(c(c2c(c1CC=C(C)C)O[C@@]13[C@H](C2=O)[C@H]([C@H]2C(=O)[C@@]1(OC([C@@H]3C2)(C)C)C/C=C(/C)\C(=O)O)O)O)C/C=C(/CCC=C(C)C)\C)O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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