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CHEBI:227618 - Aspergone O

ChEBI IDCHEBI:227618
ChEBI NameAspergone O
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SubmitterMetaboLights
DownloadsMolfile
FormulaC10H15ClO4
Net Charge0
Average Mass234.679
Monoisotopic Mass234.06589
SMILESC/C=C/C1=C(CO)[C@@H](O)[C@H](Cl)[C@@H](O)[C@@H]1O
InChIInChI=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
InChIKeyBBSVWCUYQGBLHU-PPVMYRAKSA-N
Species of MetaboliteComponentSourceComments
Aspergillusspecies OUCMDZ-1583 (ncbitaxon:1548012) - DOI (10.1039/c5ra11185d)
ChEBI Ontology
Outgoing Relation(s)
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
Manual XrefsDatabases
40256853ChemSpider