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CHEBI:213556 - Xylactam

ChEBI IDCHEBI:213556
ChEBI NameXylactam
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H31NO6
Net Charge0
Average Mass417.502
Monoisotopic Mass417.21514
SMILESCCCCCCCCC/C=C/C(=O)CCc1c(O)c2c(c(C(=O)O)c1O)C(=O)NC2
InChIInChI=1S/C23H31NO6/c1-2-3-4-5-6-7-8-9-10-11-15(25)12-13-16-20(26)17-14-24-22(28)18(17)19(21(16)27)23(29)30/h10-11,26-27H,2-9,12-14H2,1H3,(H,24,28)(H,29,30)/b11-10+
InChIKeyULFALXMSXVAKOT-ZHACJKMWSA-N
Species of MetaboliteComponentSourceComments
Xylaria (ncbitaxon:37991) - PubMed (15981413)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Xylactam (CHEBI:213556) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
5,7-dihydroxy-3-oxo-6-[(E)-3-oxotetradec-4-enyl]-1,2-dihydroisoindole-4-carboxylic acid
Manual XrefsDatabases
9375957ChemSpider