CHEBI:220986 - Chloromonilinic acid B

ChEBI IDCHEBI:220986
ChEBI NameChloromonilinic acid B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H13ClO7
Net Charge0
Average Mass352.726
Monoisotopic Mass352.03498
SMILESCOC(=O)Cc1c(/C(Cl)=C\C(=O)O)oc2cc(C)cc(O)c2c1=O
InChIInChI=1S/C16H13ClO7/c1-7-3-10(18)14-11(4-7)24-16(9(17)6-12(19)20)8(15(14)22)5-13(21)23-2/h3-4,6,18H,5H2,1-2H3,(H,19,20)/b9-6+
InChIKeyOIGIYRMZWBAKKC-RMKNXTFCSA-N
Species of MetaboliteComponentSourceComments
Monilinia fructicola (ncbitaxon:38448) - DOI (10.1080/00021369.1989.10869453)
ChEBI Ontology
Outgoing Relation(s)
Chloromonilinic acid B (CHEBI:220986) is a chromones (CHEBI:23238)
IUPAC Name 
(E)-3-chloro-3-[5-hydroxy-3-(2-methoxy-2-oxoethyl)-7-methyl-4-oxochromen-2-yl]prop-2-enoic acid
Manual XrefsDatabases
29814439ChemSpider