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CHEBI:183481 - 7-hydroxycoumarinyl-gamma-linolenate

ChEBI IDCHEBI:183481
ChEBI Name7-hydroxycoumarinyl-gamma-linolenate
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC27H34O4
Net Charge0
Average Mass422.565
Monoisotopic Mass422.24571
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)Oc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C27H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)30-24-20-18-23-19-21-27(29)31-25(23)22-24/h6-7,9-10,12-13,18-22H,2-5,8,11,14-17H2,1H3/b7-6-,10-9-,13-12-
InChIKeyLPIXSKJJCANUQD-QNEBEIHSSA-N
Species of MetaboliteComponentSourceComments
Bombus terrestris (ncbitaxon:30195)
hemolymph (BTO:0000572) MetaboLights (MTBLS3637)
brain (BTO:0000142) 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)
7-hydroxycoumarinyl-gamma-linolenate (CHEBI:183481) is a coumarins (CHEBI:23403)
7-hydroxycoumarinyl-gamma-linolenate (CHEBI:183481) is a octadecanoid (CHEBI:36326)
IUPAC Name 
(2-oxochromen-7-yl) (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
29341782ChemSpider