Coccutrine (CHEBI:229083)

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CHEBI:229083 - Coccutrine

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ChEBI ID	CHEBI:229083
ChEBI Name	Coccutrine
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C18H23NO3
Net Charge	0
Average Mass	301.386
Monoisotopic Mass	301.16779
SMILES	COc1cc(O)cc2c1CCN1CCC3=CC[C@H](OC)CC321
InChI	InChI=1S/C18H23NO3/c1-21-14-4-3-12-5-7-19-8-6-15-16(18(12,19)11-14)9-13(20)10-17(15)22-2/h3,9-10,14,20H,4-8,11H2,1-2H3/t14-,18?/m0/s1
InChIKey	RDXIEGVPUDECJS-PIVQAISJSA-N

Species of Metabolite	Component	Source	Comments
Zea mays (ncbitaxon:4577)	exometabolome	MetaboLights (MTBLS8903)

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)
	Coccutrine (CHEBI:229083) is a alkaloid (CHEBI:22315)

IUPAC Name
(2S)-2,10-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinolin-12-ol

Manual Xrefs	Databases
161634	ChemSpider