13-Oxocryptopine (CHEBI:191441)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	13-Oxocryptopine

ChEBI ID	CHEBI:191441

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H21NO6

Net Charge

Average Mass

383.400

Monoisotopic Mass

383.13689

InChI

InChI=1S/C21H21NO6/c1-22-7-6-12-8-17(25-2)18(26-3)9-14(12)20(24)19(23)13-4-5-16-21(15(13)10-22)28-11-27-16/h4-5,8-9H,6-7,10-11H2,1-3H3

InChIKey

UFCVPEFVGGMGSE-UHFFFAOYSA-N

SMILES

O1C=2C=3CN(CCC=4C(C(=O)C(=O)C3C=CC2OC1)=CC(OC)=C(OC)C4)C

Metabolite of Species	Details
Solanum tuberosum (NCBI:txid4113)	Found in leaf (BTO:0000713). See: MetaboLights Study

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 )

ChEBI Ontology
Outgoing	13-Oxocryptopine (CHEBI:191441) is a alkaloid (CHEBI:22315)

IUPAC Name

6,7-dimethoxy-12-methyl-16,18-dioxa-12-azatetracyclo[12.7.0.04,9.015,19]henicosa-1(14),4,6,8,15(19),20-hexaene-2,3-dione