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CHEBI:189926 - Chloromarmin

ChEBI IDCHEBI:189926
ChEBI NameChloromarmin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H23ClO4
Net Charge0
Average Mass350.842
Monoisotopic Mass350.12849
SMILESC/C(=C\COc1ccc2ccc(=O)oc2c1)CCC(O)C(C)(C)Cl
InChIInChI=1S/C19H23ClO4/c1-13(4-8-17(21)19(2,3)20)10-11-23-15-7-5-14-6-9-18(22)24-16(14)12-15/h5-7,9-10,12,17,21H,4,8,11H2,1-3H3/b13-10+
InChIKeyLJKOFXGMGDOURN-JLHYYAGUSA-N
Species of MetaboliteComponentSourceComments
marine plankton environmental sample (ncbitaxon:632957) endometabolome MetaboLights (MTBLS3038)
ChEBI Ontology
Outgoing Relation(s)
Chloromarmin (CHEBI:189926) is a coumarins (CHEBI:23403)
IUPAC Name 
7-[(E)-7-chloro-6-hydroxy-3,7-dimethyloct-2-enoxy]chromen-2-one
Manual XrefsDatabases
35015177ChemSpider
HMDB0041414HMDB