2,3-Dihydromycoepoxydiene (CHEBI:226022)

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CHEBI:226022 - 2,3-Dihydromycoepoxydiene

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ChEBI ID	CHEBI:226022
ChEBI Name	2,3-Dihydromycoepoxydiene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C16H20O5
Net Charge	0
Average Mass	292.331
Monoisotopic Mass	292.13107
SMILES	CC(=O)O[C@H]1CCC(=O)O[C@H]1[C@@H]1[C@H](C)[C@H]2C=CC=C[C@@H]1O2
InChI	InChI=1S/C16H20O5/c1-9-11-5-3-4-6-12(20-11)15(9)16-13(19-10(2)17)7-8-14(18)21-16/h3-6,9,11-13,15-16H,7-8H2,1-2H3/t9-,11-,12+,13+,15-,16-/m1/s1
InChIKey	OHZSLNDZWPEEHR-SUVXLDSESA-N

Species of Metabolite	Component	Source	Comments
Phomopsisspecies (ncbitaxon:1715245)	-	PubMed (17926268)

ChEBI Ontology

Outgoing Relation(s)
	2,3-Dihydromycoepoxydiene (CHEBI:226022) is a δ-lactone (CHEBI:18946)

IUPAC Name
[(2S,3S)-2-[(1R,6S,7R,8S)-8-methyl-9-oxabicyclo[4.2.1]nona-2,4-dien-7-yl]-6-oxooxan-3-yl] acetate

Manual Xrefs	Databases
78437794	ChemSpider