(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-2-(3-pyridinylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:128893)

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CHEBI:128893 - (1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-2-(3-pyridinylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide

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ChEBI ID	CHEBI:128893
ChEBI Name	(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-2-(3-pyridinylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide
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Downloads	Molfile

Formula	C28H37N5O3
Net Charge	0
Average Mass	491.636
Monoisotopic Mass	491.28964
SMILES	COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1cccnc1)CC31CCN(C(=O)NC(C)C)CC1
InChI	InChI=1S/C28H37N5O3/c1-19(2)30-27(35)32-12-9-28(10-13-32)18-33(16-20-6-5-11-29-15-20)24(17-34)26-25(28)22-8-7-21(36-4)14-23(22)31(26)3/h5-8,11,14-15,19,24,34H,9-10,12-13,16-18H2,1-4H3,(H,30,35)/t24-/m1/s1
InChIKey	FIDLKJOXSFLNIK-XMMPIXPASA-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)
	(1S)-1-(hydroxymethyl)-7-methoxy-9-methyl-N-propan-2-yl-2-(3-pyridinylmethyl)-1'-spiro[1,3-dihydropyrido[3,4-b]indole-4,4'-piperidine]carboxamide (CHEBI:128893) is a harmala alkaloid (CHEBI:61379)

Manual Xrefs	Databases
LSM-40445	LINCS