Rubropunctatine (CHEBI:227418)

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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	Rubropunctatine

ChEBI ID	CHEBI:227418

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H22O5

Net Charge

Average Mass

354.402

Monoisotopic Mass

354.14672

InChI

InChI=1S/C21H22O5/c1-4-6-7-9-17(22)18-16-11-13-10-14(8-5-2)25-12-15(13)19(23)21(16,3)26-20(18)24/h5,8,10-12H,4,6-7,9H2,1-3H3/b8-5+/t21-/m1/s1

InChIKey

SULYDLFVUNXAMP-WKOQKXSESA-N

SMILES

O=C1C=2C(C=C(/C=C/C)OC2)=CC=3[C@]1(OC(=O)C3C(=O)CCCCC)C

Metabolite of Species	Details
Monascus purpureus (NCBI:txid5098)	See: DOI

ChEBI Ontology
Outgoing	Rubropunctatine (CHEBI:227418) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(9aR)-3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]uro[3,2-g]isochromene-2,9-dione