input word = C00047158

Metabolite InformationStructural formula
Name 8,8a-Dihydro-8-hydroxymorellic acid
(-)-8,8a-Dihydro-8-hydroxymorellic acid
Formula C33H38O9
Mw 578.25158281
CAS RN 1097190-77-6
C_ID C00047158 ,
InChIKey GITYGECAVAWXHS-ADDKOZLWNA-N
InChICode InChI=1S/C33H38O9/c1-15(2)8-9-18-26-17(11-12-30(4,5)40-26)23(34)21-25(36)22-24(35)19-14-20-31(6,7)42-32(28(19)37,13-10-16(3)29(38)39)33(20,22)41-27(18)21/h8,10-12,19-20,22,24,34-35H,9,13-14H2,1-7H3,(H,38,39)/b16-10-/t19-,20-,22-,24-,32-,33-/m0/s1
SMILES CC(C)=CCc1c2c(c(O)c3c1O[C@]14[C@H](C3=O)[C@@H](O)[C@@H]3C[C@H]1C(C)(C)O[C@@]4(C/C=C(/C)C(=O)O)C3=O)C=CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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