Methyl norpenicyrone (CHEBI:215798)

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CHEBI:215798 - Methyl norpenicyrone

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ChEBI ID	CHEBI:215798
ChEBI Name	Methyl norpenicyrone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C24H34O7
Net Charge	0
Average Mass	434.529
Monoisotopic Mass	434.23045
SMILES	COc1cc(=O)oc([C@@](C)(O)/C=C(\C)C(OC)/C(C)=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@H]32)c1C
InChI	InChI=1S/C24H34O7/c1-13(11-22(5,26)20-15(3)17(27-8)10-18(25)29-20)19(28-9)14(2)12-23(6)21-24(7,31-21)16(4)30-23/h10-12,16,19,21,26H,1-9H3/b13-11+,14-12+/t16-,19?,21+,22+,23+,24-/m1/s1
InChIKey	XLSPAXGYQZJDBU-IZWBPEGVSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	DOI (10.1007/s10600-018-2316-0)

ChEBI Ontology

Outgoing Relation(s)
	Methyl norpenicyrone (CHEBI:215798) is a pyranone (CHEBI:37963)

IUPAC Name
6-[(2S,3E,6E)-2-hydroxy-5-methoxy-4,6-dimethyl-7-[(1S,2S,4R,5R)-2,4,5-trimethyl-3,6-dioxabicyclo[3.1.0]hexan-2-yl]hepta-3,6-dien-2-yl]-4-methoxy-5-methylpyran-2-one