input word = C00054125

Metabolite InformationStructural formula
Name 8,8a-Dihydro-8-hydroxyepigambogic acid
Formula C38H46O9
Mw 646.31418307
CAS RN 1164201-85-7
C_ID C00054125
InChIKey LJUARHDVFLLQMF-YDWIBJLMSA-N
InChICode InChI=1S/C38H46O9/c1-19(2)10-9-15-36(8)16-14-22-28(39)26-30(41)27-29(40)24-18-25-35(6,7)47-37(33(24)42,17-13-21(5)34(43)44)38(25,27)46-32(26)23(31(22)45-36)12-11-20(3)4/h10-11,13-14,16,24-25,27,29,39-40H,9,12,15,17-18H2,1-8H3,(H,43,44)/b21-13-/t24-,25-,27+,29-,36-,37-,38-/m0/s1
SMILES CC(C)=CCC[C@@]1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)O[C@]12[C@@H](C3=O)[C@@H](O)[C@@H]3C[C@H]1C(C)(C)O[C@@]2(C/C=C(/C)C(=O)O)C3=O
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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