Cycloepoxydon (CHEBI:210786)

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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	Cycloepoxydon

ChEBI ID	CHEBI:210786

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O5

Net Charge

Average Mass

240.255

Monoisotopic Mass

240.09977

InChI

InChI=1S/C12H16O5/c1-2-3-6-9(14)7-5(4-16-6)8(13)11-12(17-11)10(7)15/h6,9-12,14-15H,2-4H2,1H3/t6-,9-,10+,11+,12-/m1/s1

InChIKey

FQEOCFATKIDBGB-OVBJLEGISA-N

SMILES

O=C1C2=C([C@H](O)[C@@H](CCC)OC2)[C@H](O)[C@@H]3[C@H]1O3

ChEBI Ontology
Outgoing	Cycloepoxydon (CHEBI:210786) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(1aR,5R,6S,7S,7aR)-6,7-dihydroxy-5-propyl-1a,3,5,6,7,7a-hexahydrooxireno[2,3-g]isochromen-2-one