Sarcosone B (CHEBI:225136)

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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 B

ChEBI ID	CHEBI:225136

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/c1-7(6-13)3-4-12-9(14)5-8(16-2)10(15)11(12)17-12/h3,5,10-11,13,15H,4,6H2,1-2H3/b7-3+/t10-,11+,12-/m0/s1

InChIKey

JQNLAQMUJVEPCK-WBGAJPHISA-N

SMILES

O=C1C=C(OC)[C@H](O)[C@@H]2[C@]1(O2)C/C=C(/CO)\C

ChEBI Ontology
Outgoing	Sarcosone B (CHEBI:225136) is a cyclohexenones (CHEBI:48953)

IUPAC Name

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