CHEBI:128347 - cyclopropyl-[(1S)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone

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ChEBI Name cyclopropyl-[(1S)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone
ChEBI ID CHEBI:128347
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C27H29F2N3O3
Net Charge 0
Average Mass 481.535
Monoisotopic Mass 481.21770
InChI InChI=1S/C27H29F2N3O3/c1-30-22-10-19(35-2)6-7-20(22)24-25(30)23(12-33)31(11-17-9-18(28)5-8-21(17)29)13-27(24)14-32(15-27)26(34)16-3-4-16/h5-10,16,23,33H,3-4,11-15H2,1-2H3/t23-/m1/s1
InChIKey VBBNZRJPYJBSEQ-HSZRJFAPSA-N
SMILES CN1C2=C(C=CC(=C2)OC)C3=C1[C@H](N(CC34CN(C4)C(=O)C5CC5)CC6=C(C=CC(=C6)F)F)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-[(1S)-2-[(2,5-difluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-9-methyl-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,3'-azetidine]yl]methanone (CHEBI:128347) is a harmala alkaloid (CHEBI:61379)
Manual Xref Database
LSM-39902 LINCS
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