Monaphilone B (CHEBI:214420)

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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	Monaphilone B

ChEBI ID	CHEBI:214420

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C20H28O4

Net Charge

Average Mass

332.440

Monoisotopic Mass

332.19876

InChI

InChI=1S/C20H28O4/c1-4-6-7-9-16(21)12-15-10-14-11-17(8-5-2)24-13-18(14)19(22)20(15,3)23/h5,8,11,15,23H,4,6-7,9-10,12-13H2,1-3H3/b8-5+/t15-,20-/m1/s1

InChIKey

CSEZJTMVEKOTTH-KRSZBIKMSA-N

SMILES

O=C1C2=C(C=C(/C=C/C)OC2)C[C@@H]([C@]1(O)C)CC(=O)CCCCC

Metabolite of Species	Details
Monascus (NCBI:txid5097)	See: PubMed

ChEBI Ontology
Outgoing	Monaphilone B (CHEBI:214420) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(6R,7R)-7-hydroxy-7-methyl-6-(2-oxoheptyl)-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-8-one