Arthropsadiol B (CHEBI:212081)

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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	Arthropsadiol B

ChEBI ID	CHEBI:212081

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/c1-3-4-8-5-6-9(14)12(16)10(8)11(15)7(2)13/h3-8,10,12-13,16H,1-2H3/b4-3+/t7?,8-,10+,12-/m0/s1

InChIKey

HVMKQUCBQJNJSQ-LYLXNWQCSA-N

SMILES

O=C1C=C[C@H](/C=C/C)[C@@H]([C@H]1O)C(=O)C(O)C

Metabolite of Species	Details
Arthropsis (NCBI:txid1213591)	See: DOI

ChEBI Ontology
Outgoing	Arthropsadiol B (CHEBI:212081) is a cyclohexenones (CHEBI:48953)

IUPAC Name

(4S,5S,6R)-6-hydroxy-5-(2-hydroxypropanoyl)-4-[(E)-prop-1-enyl]cyclohex-2-en-1-one