CHEBI:126789 - cyclopropyl-[(1R)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone

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ChEBI Name cyclopropyl-[(1R)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone
ChEBI ID CHEBI:126789
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C29H34FN3O3
Net Charge 0
Average Mass 491.598
Monoisotopic Mass 491.25842
InChI InChI=1S/C29H34FN3O3/c1-31-24-15-22(36-2)8-9-23(24)26-27(31)25(17-34)33(28(35)20-6-7-20)18-29(26)10-12-32(13-11-29)16-19-4-3-5-21(30)14-19/h3-5,8-9,14-15,20,25,34H,6-7,10-13,16-18H2,1-2H3/t25-/m0/s1
InChIKey JYNWHADBVHDRHI-VWLOTQADSA-N
SMILES CN1C2=C(C=CC(=C2)OC)C3=C1[C@@H](N(CC34CCN(CC4)CC5=CC(=CC=C5)F)C(=O)C6CC6)CO
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via alkaloid )
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ChEBI Ontology
Outgoing cyclopropyl-[(1R)-1'-[(3-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-2-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]yl]methanone (CHEBI:126789) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-38352 LINCS
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