input word = C00047308

Metabolite InformationStructural formula
Name Methyl 8,8a-dihydromorellate
(-)-Methyl 8,8a-dihydromorellate
Formula C34H40O8
Mw 576.27231825
CAS RN 1097190-73-2
C_ID C00047308 ,
InChIKey JTEQWNATEJGXHW-QJAAVRHZNA-N
InChICode InChI=1S/C34H40O8/c1-17(2)9-10-21-27-20(12-13-31(4,5)40-27)25(35)24-26(36)22-15-19-16-23-32(6,7)42-33(29(19)37,34(22,23)41-28(21)24)14-11-18(3)30(38)39-8/h9,11-13,19,22-23,35H,10,14-16H2,1-8H3/b18-11-/t19-,22+,23+,33+,34-/m1/s1
SMILES c12c(c(c3c(c1CC=C(C)C)O[C@@]14[C@H](C3=O)C[C@H]3C(=O)[C@@]1(OC([C@@H]4C3)(C)C)C/C=C(\C(=O)OC)/C)O)C=CC(O2)(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia hanburyi Ref.
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