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 C/C(C)=C/CC[C@](C=C1)(C)OC2=C1C(O)=C(C([C@]([C@@H](O)[C@H]3C([C@@]4(OC(C)(C)[C@@H]5C3)C/C=C(C(O)=O)/C)=O)([H])[C@]45O6)=O)C6=C2C/C=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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