(1R)-2-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:129080)

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CHEBI:129080 - (1R)-2-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide

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ChEBI ID	CHEBI:129080
ChEBI Name	(1R)-2-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide
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Downloads	Molfile

Formula	C26H31FN4O3
Net Charge	0
Average Mass	466.557
Monoisotopic Mass	466.23802
SMILES	CCCNC(=O)N1CC2(C1)CN(Cc1ccc(F)cc1)[C@@H](CO)c1nc3cc(OC)ccc3c12
InChI	InChI=1S/C26H31FN4O3/c1-3-10-28-25(33)31-15-26(16-31)14-30(12-17-4-6-18(27)7-5-17)22(13-32)24-23(26)20-9-8-19(34-2)11-21(20)29-24/h4-9,11,22,29,32H,3,10,12-16H2,1-2H3,(H,28,33)/t22-/m0/s1
InChIKey	WUJMIKHUVFPYKN-QFIPXVFZSA-N

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	(1R)-2-[(4-fluorophenyl)methyl]-1-(hydroxymethyl)-7-methoxy-N-propyl-1'-spiro[3,9-dihydro-1H-pyrido[3,4-b]indole-4,3'-azetidine]carboxamide (CHEBI:129080) is a harmala alkaloid (CHEBI:61379)

Manual Xrefs	Databases
LSM-40632	LINCS