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CHEBI:183467 - Obscurolide A1

ChEBI IDCHEBI:183467
ChEBI NameObscurolide A1
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC15H17NO5
Net Charge0
Average Mass291.303
Monoisotopic Mass291.11067
SMILESCC(O)/C=C/C1OC(=O)CC1Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C15H17NO5/c1-9(17)2-7-13-12(8-14(18)21-13)16-11-5-3-10(4-6-11)15(19)20/h2-7,9,12-13,16-17H,8H2,1H3,(H,19,20)/b7-2+
InChIKeyIZSWILLJDXDGDJ-FARCUNLSSA-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 Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Obscurolide A1 (CHEBI:183467) is a aminobenzoic acid (CHEBI:22495)
IUPAC Name 
4-[[2-[(E)-3-hydroxybut-1-enyl]-5-oxooxolan-3-yl]amino]benzoic acid
Manual XrefsDatabases
4943221ChemSpider
Registry NumbersSources
CAS:144397-99-9ChemIDplus