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CHEBI:219178 - Monorden C

ChEBI IDCHEBI:219178
ChEBI NameMonorden C
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SubmitterMetaboLights
DownloadsMolfile
FormulaC18H19ClO6
Net Charge0
Average Mass366.797
Monoisotopic Mass366.08702
SMILESCC1CC2OC2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1
InChIInChI=1S/C18H19ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2,4,8-9,14-15,21-22H,3,5-7H2,1H3/b4-2+
InChIKeyWUSYBKJSCTYKMV-DUXPYHPUSA-N
Species of MetaboliteComponentSourceComments
Humicola (ncbitaxon:5526) - PubMed (12931861)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Monorden C (CHEBI:219178) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
(11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.06,8]nonadeca-1(15),11,16,18-tetraene-2,13-dione
Manual XrefsDatabases
9232813ChemSpider