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CHEBI:125175 - 1-[(3R,3aR)-3-[(1S)-1-hydroxy-2-phenylethyl]-3,3a,6,7-tetrahydro-1H-cyclohepta[c]pyrrol-2-yl]-1-cyclohexanecarboxylic acid methyl ester

ChEBI IDCHEBI:125175
ChEBI Name1-[(3R,3aR)-3-[(1S)-1-hydroxy-2-phenylethyl]-3,3a,6,7-tetrahydro-1H-cyclohepta[c]pyrrol-2-yl]-1-cyclohexanecarboxylic acid methyl ester
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DownloadsMolfile
FormulaC25H33NO3
Net Charge0
Average Mass395.543
Monoisotopic Mass395.24604
SMILESCOC(=O)C1(N2CC3=CCCC=C[C@H]3[C@@H]2[C@@H](O)Cc2ccccc2)CCCCC1
InChIInChI=1S/C25H33NO3/c1-29-24(28)25(15-9-4-10-16-25)26-18-20-13-7-3-8-14-21(20)23(26)22(27)17-19-11-5-2-6-12-19/h2,5-6,8,11-14,21-23,27H,3-4,7,9-10,15-18H2,1H3/t21-,22+,23-/m1/s1
InChIKeyRXHRLQROHXGSIO-XPWALMASSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[(3R,3aR)-3-[(1S)-1-hydroxy-2-phenylethyl]-3,3a,6,7-tetrahydro-1H-cyclohepta[c]pyrrol-2-yl]-1-cyclohexanecarboxylic acid methyl ester (CHEBI:125175) has functional parent α-amino acid (CHEBI:33704)
1-[(3R,3aR)-3-[(1S)-1-hydroxy-2-phenylethyl]-3,3a,6,7-tetrahydro-1H-cyclohepta[c]pyrrol-2-yl]-1-cyclohexanecarboxylic acid methyl ester (CHEBI:125175) is a organonitrogen compound (CHEBI:35352)
1-[(3R,3aR)-3-[(1S)-1-hydroxy-2-phenylethyl]-3,3a,6,7-tetrahydro-1H-cyclohepta[c]pyrrol-2-yl]-1-cyclohexanecarboxylic acid methyl ester (CHEBI:125175) is a organooxygen compound (CHEBI:36963)
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