input word = C00055147

Metabolite InformationStructural formula
Name Dihydroisomorellin
Formula C33H38O7
Mw 546.26175357
CAS RN 1064-70-6
C_ID C00055147
InChIKey ORNMPVMTDJIPQS-XZCHLTMRSA-N
InChICode InChI=1S/C33H38O7/c1-17(2)8-9-21-27-20(11-12-30(4,5)38-27)25(35)24-26(36)22-14-19-15-23-31(6,7)40-32(29(19)37,13-10-18(3)16-34)33(22,23)39-28(21)24/h8,10-12,16,19,22-23,35H,9,13-15H2,1-7H3/b18-10+/t19-,22?,23+,32+,33-/m1/s1
SMILES CC(C)=CCc1c2c(c(O)c3c1O[C@]14C(C[C@@H]5C[C@H]1C(C)(C)O[C@@]4(C/C=C(C)C=O)C5=O)C3=O)C=CC(C)(C)O2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeClusiaceae/Clusiaceae-GuttiferaeGarcinia morella Ref.
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