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CHEBI:220882 - Colletotricone B

ChEBI IDCHEBI:220882
ChEBI NameColletotricone B
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SubmitterMetaboLights
DownloadsMolfile
FormulaC14H20O4
Net Charge0
Average Mass252.310
Monoisotopic Mass252.13616
SMILESCCC/C=C/[C@H]1C=CC(=O)[C@H](O)[C@@H]1C(=O)C(C)O
InChIInChI=1S/C14H20O4/c1-3-4-5-6-10-7-8-11(16)14(18)12(10)13(17)9(2)15/h5-10,12,14-15,18H,3-4H2,1-2H3/b6-5+/t9?,10-,12-,14-/m0/s1
InChIKeyIEIDOBRKKCUFLS-QYNOYBPCSA-N
Species of MetaboliteComponentSourceComments
Colletotrichum (ncbitaxon:5455) - PubMed (29199456)
ChEBI Ontology
Outgoing Relation(s)
Colletotricone B (CHEBI:220882) is a cyclohexenones (CHEBI:48953)
IUPAC Name 
(4S,5R,6R)-6-hydroxy-5-(2-hydroxypropanoyl)-4-[(E)-pent-1-enyl]cyclohex-2-en-1-one
Manual XrefsDatabases
78441873ChemSpider