Sarcosone A (CHEBI:225029)

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ChEBI Ontology

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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	Sarcosone A

ChEBI ID	CHEBI:225029

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H16O4

Net Charge

Average Mass

224.256

Monoisotopic Mass

224.10486

InChI

InChI=1S/C12H16O4/c1-7(2)4-5-12-9(13)6-8(15-3)10(14)11(12)16-12/h4,6,10-11,14H,5H2,1-3H3/t10-,11+,12-/m0/s1

InChIKey

YUODRAVGLILWNO-TUAOUCFPSA-N

SMILES

O=C1C=C(OC)[C@H](O)[C@@H]2[C@]1(O2)CC=C(C)C

ChEBI Ontology
Outgoing	Sarcosone A (CHEBI:225029) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(1R,5R,6R)-5-hydroxy-4-methoxy-1-(3-methylbut-2-enyl)-7-oxabicyclo[4.1.0]hept-3-en-2-one