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CHEBI:208450 - Chloromonilinic acid C

Default Structure
ChEBI IDCHEBI:208450
ChEBI NameChloromonilinic acid C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H13ClO8
Net Charge0
Average Mass368.725
Monoisotopic Mass368.02990
SMILESCOC(=O)[C@@H](O)c1c(/C(Cl)=C\C(=O)O)oc2cc(C)cc(O)c2c1=O
InChIInChI=1S/C16H13ClO8/c1-6-3-8(18)11-9(4-6)25-15(7(17)5-10(19)20)12(13(11)21)14(22)16(23)24-2/h3-5,14,18,22H,1-2H3,(H,19,20)/b7-5+/t14-/m0/s1
InChIKeyFPTZKCWZFSLWFJ-DYLGSBMWSA-N
Species of MetaboliteComponentSourceComments
Curvularia tsudae (ncbitaxon:1325487) - PubMed (29039952)
ChEBI Ontology
Outgoing Relation(s)
Chloromonilinic acid C (CHEBI:208450) is a chromones (CHEBI:23238)
IUPAC Name 
(E)-3-chloro-3-[5-hydroxy-3-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-7-methyl-4-oxochromen-2-yl]prop-2-enoic acid
Manual XrefsDatabases
78439015ChemSpider