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CHEBI:183393 - 6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydro-1H-2-benzopyran-1-one

ChEBI IDCHEBI:183393
ChEBI Name6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydro-1H-2-benzopyran-1-one
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O5
Net Charge0
Average Mass350.455
Monoisotopic Mass350.20932
SMILESCC(O)CCCCCCCCCC1Cc2cc(O)cc(O)c2C(=O)O1
InChIInChI=1S/C20H30O5/c1-14(21)9-7-5-3-2-4-6-8-10-17-12-15-11-16(22)13-18(23)19(15)20(24)25-17/h11,13-14,17,21-23H,2-10,12H2,1H3
InChIKeyYLEKEQNOOIMZQM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
brain (BTO:0000142) MetaboLights (MTBLS3637)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
hindgut (BTO:0000510) MetaboLights (MTBLS3637)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydro-1H-2-benzopyran-1-one (CHEBI:183393) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
6,8-dihydroxy-3-(10-hydroxyundecyl)-3,4-dihydroisochromen-1-one
Manual XrefsDatabases
22943450ChemSpider