CHEBI:220919 - Xylactam C

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ChEBI Name Xylactam C
ChEBI ID CHEBI:220919
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H29NO6
Net Charge 0
Average Mass 415.486
Monoisotopic Mass 415.19949
InChI InChI=1S/C23H29NO6/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/h8-11,26-27H,2-7,12-14H2,1H3,(H,24,28)(H,29,30)/b9-8+,11-10+
InChIKey RXRDBSDLVSHDGL-BNFZFUHLSA-N
SMILES O=C1NCC=2C1=C(C(O)=C(CCC(=O)/C=C/C=C/CCCCCCC)C2O)C(=O)O
Metabolite of Species Details
Xylaria polymorpha (NCBI:txid77046) See: PubMed
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing Xylactam C (CHEBI:220919) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name
5,7-dihydroxy-3-oxo-6-[(4E,6E)-3-oxotetradeca-4,6-dienyl]-1,2-dihydroisoindole-4-carboxylic acid
Manual Xref Database
78435321 ChemSpider
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