8-O-methylsclerotiorinamine (CHEBI:224891)

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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	8-O-methylsclerotiorinamine

ChEBI ID	CHEBI:224891

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C22H26ClNO4

Net Charge

Average Mass

403.900

Monoisotopic Mass

403.15504

InChI

InChI=1S/C22H26ClNO4/c1-7-13(2)10-14(3)8-9-16-11-17-18(12-24-16)21(27-6)22(5,28-15(4)25)20(26)19(17)23/h8-13H,7H2,1-6H3/b9-8+,14-10+/t13?,22-/m0/s1

InChIKey

XEYGOCHZSYIFRN-BEFCGSBYSA-N

SMILES

ClC1=C2C(=C(OC)[C@](C1=O)(OC(=O)C)C)C=NC(=C2)/C=C/C(=C/C(CC)C)/C

Metabolite of Species	Details
Penicillium multicolor (NCBI:txid266794)	See: PubMed

ChEBI Ontology
Outgoing	8-O-methylsclerotiorinamine (CHEBI:224891) is a isoquinolines (CHEBI:24922)

IUPAC Name

[(7R)-5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dienyl]-8-methoxy-7-methyl-6-oxoisoquinolin-7-yl] acetate