CHEBI:183481 - 7-hydroxycoumarinyl-gamma-linolenate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 7-hydroxycoumarinyl-gamma-linolenate
ChEBI ID CHEBI:183481
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information eMolecules:1935524, ZINC000038337286
Download Molfile XML SDF
Formula C27H34O4
Net Charge 0
Average Mass 422.565
Monoisotopic Mass 422.24571
InChI InChI=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-
InChIKey LPIXSKJJCANUQD-QNEBEIHSSA-N
SMILES O(C(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)C1=CC=2OC(=O)C=CC2C=C1
Metabolite of Species Details
Bombus terrestris (NCBI:txid30195) Found in hemolymph (BTO:0000572). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in hindgut (BTO:0000510). See: MetaboLights Study
Bombus terrestris (NCBI:txid30195) Found in brain (BTO:0000142). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Xref Database
29341782 ChemSpider
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Last Modified
24 February 2022