Isopenicillstrebetaol (CHEBI:207565)

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CHEBI:207565 - Isopenicillstrebetaol

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ChEBI ID	CHEBI:207565
ChEBI Name	Isopenicillstrebetaol
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C23H30O7
Net Charge	0
Average Mass	418.486
Monoisotopic Mass	418.19915
SMILES	COc1cc(=O)oc(C(O)/C=C/C=C/C=C(\C)[C@H]2O[C@]3(C)C(O)[C@@]2(C)O[C@@H]3C)c1C
InChI	InChI=1S/C23H30O7/c1-13(20-23(5)21(26)22(4,30-20)15(3)29-23)10-8-7-9-11-16(24)19-14(2)17(27-6)12-18(25)28-19/h7-12,15-16,20-21,24,26H,1-6H3/b8-7+,11-9+,13-10+/t15-,16?,20-,21?,22+,23+/m1/s1
InChIKey	FVGGRTZBOSGBFB-VCUDSOAYSA-N

Species of Metabolite	Component	Source	Comments
Penicillium (ncbitaxon:5073)	-	PubMed (28824581)

ChEBI Ontology

Outgoing Relation(s)
	Isopenicillstrebetaol (CHEBI:207565) is a aliphatic alcohol (CHEBI:2571)

IUPAC Name
6-[(2E,4E,6E)-1-hydroxy-7-[(1R,3R,4R,6R)-7-hydroxy-1,4,6-trimethyl-2,5-dioxabicyclo[2.2.1]heptan-3-yl]octa-2,4,6-trienyl]-4-methoxy-5-methylpyran-2-one

Manual Xrefs	Databases
62344042	ChemSpider