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CHEBI:220925 - Xylactam D

ChEBI IDCHEBI:220925
ChEBI NameXylactam D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC28H39NO6
Net Charge0
Average Mass485.621
Monoisotopic Mass485.27774
SMILESCCCCCCC/C=C/C=C/C(=O)CCc1c(O)c2c(c(C(=O)O)c1O)C(=O)N(CCC(C)C)C2
InChIInChI=1S/C28H39NO6/c1-4-5-6-7-8-9-10-11-12-13-20(30)14-15-21-25(31)22-18-29(17-16-19(2)3)27(33)23(22)24(26(21)32)28(34)35/h10-13,19,31-32H,4-9,14-18H2,1-3H3,(H,34,35)/b11-10+,13-12+
InChIKeyMTRQOGAXJIIUAW-AQASXUMVSA-N
Species of MetaboliteComponentSourceComments
Xylaria polymorpha (ncbitaxon:77046) - PubMed (29262728)
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 D (CHEBI:220925) is a hydroxybenzoic acid (CHEBI:24676)
IUPAC Name 
5,7-dihydroxy-2-(3-methylbutyl)-3-oxo-6-[(4E,6E)-3-oxotetradeca-4,6-dienyl]-1H-isoindole-4-carboxylic acid
Manual XrefsDatabases
78435322ChemSpider