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CHEBI:204048 - Chlovalicin

ChEBI IDCHEBI:204048
ChEBI NameChlovalicin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H25ClO5
Net Charge0
Average Mass332.824
Monoisotopic Mass332.13905
SMILESCO[C@@H]1C(=O)CC[C@](O)(CCl)[C@@]1(O)[C@]1(C)O[C@H]1CC=C(C)C
InChIInChI=1S/C16H25ClO5/c1-10(2)5-6-12-14(3,22-12)16(20)13(21-4)11(18)7-8-15(16,19)9-17/h5,12-13,19-20H,6-9H2,1-4H3/t12-,13+,14+,15-,16-/m0/s1
InChIKeyNZVBMSJIHBRYNA-OTJKEOIZSA-N
Species of MetaboliteComponentSourceComments
Sporothrix (ncbitaxon:29907) - PubMed (8784422)
ChEBI Ontology
Outgoing Relation(s)
Chlovalicin (CHEBI:204048) is a cyclitol (CHEBI:23451)
IUPAC Name 
(2S,3R,4R)-4-(chloromethyl)-3,4-dihydroxy-2-methoxy-3-[(2R,3S)-2-methyl-3-(3-methylbut-2-enyl)oxiran-2-yl]cyclohexan-1-one
Manual XrefsDatabases
8958155ChemSpider