Monascoflavin (CHEBI:174798)

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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	Monascoflavin

ChEBI ID	CHEBI:174798

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H26O5

Net Charge

Average Mass

358.434

Monoisotopic Mass

358.17802

InChI

InChI=1S/C21H26O5/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/h5,8,10,16,18H,4,6-7,9,11-12H2,1-3H3/b8-5+

InChIKey

XXKNHBAFFJINCK-VMPITWQZSA-N

SMILES

O1C2(C(C(C1=O)C(=O)CCCCC)CC3=C(C2=O)COC(=C3)/C=C/C)C

ChEBI Ontology
Outgoing	Monascoflavin (CHEBI:174798) is a cyclohexenones (CHEBI:48953)

IUPAC Name

3-hexanoyl-9a-methyl-6-[(E)-prop-1-enyl]-3,3a,4,8-tetrahydrouro[3,2-g]isochromene-2,9-dione