Aspergone O (CHEBI:227618)

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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	Aspergone O

ChEBI ID	CHEBI:227618

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C10H15ClO4

Net Charge

Average Mass

234.680

Monoisotopic Mass

234.06589

InChI

InChI=1S/C10H15ClO4/c1-2-3-5-6(4-12)8(13)7(11)10(15)9(5)14/h2-3,7-10,12-15H,4H2,1H3/b3-2+/t7-,8+,9+,10+/m0/s1

InChIKey

BBSVWCUYQGBLHU-PPVMYRAKSA-N

SMILES

Cl[C@H]1[C@H](O)C(=C(/C=C/C)[C@H]([C@@H]1O)O)CO

Metabolite of Species	Details
Aspergillusspecies OUCMDZ-1583 (NCBI:txid1548012)	See: DOI

ChEBI Ontology
Outgoing	Aspergone O (CHEBI:227618) is a cyclitol (CHEBI:23451)

IUPAC Name

(1R,2S,3S,4R)-3-chloro-5-(hydroxymethyl)-6-[(E)-prop-1-enyl]cyclohex-5-ene-1,2,4-triol