Norpenicyrone (CHEBI:215792)

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CHEBI:215792 - Norpenicyrone

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ChEBI ID	CHEBI:215792
ChEBI Name	Norpenicyrone
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H32O7
Net Charge	0
Average Mass	420.502
Monoisotopic Mass	420.21480
SMILES	COc1cc(=O)oc([C@@](C)(O)/C=C(\C)C(O)/C(C)=C/[C@]2(C)O[C@H](C)[C@@]3(C)O[C@H]32)c1C
InChI	InChI=1S/C23H32O7/c1-12(10-21(5,26)19-14(3)16(27-8)9-17(24)28-19)18(25)13(2)11-22(6)20-23(7,30-20)15(4)29-22/h9-11,15,18,20,25-26H,1-8H3/b12-10+,13-11+/t15-,18?,20+,21+,22+,23-/m1/s1
InChIKey	LCCPPRXJAQXPDH-JATQDRHESA-N

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

ChEBI Ontology

Outgoing Relation(s)
	Norpenicyrone (CHEBI:215792) is a pyranone (CHEBI:37963)

IUPAC Name
6-[(2S,3E,6E)-2,5-dihydroxy-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