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CHEBI:227747 - Xanthomonic acid

ChEBI IDCHEBI:227747
ChEBI NameXanthomonic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC29H41NO4
Net Charge0
Average Mass467.650
Monoisotopic Mass467.30356
SMILESC/C(=C\CC/C(C)=C/Cc1cc(C(=O)O)ccc1N)CC/C=C(\C)CC/C=C(\C)CCC(=O)O
InChIInChI=1S/C29H41NO4/c1-21(8-5-9-22(2)11-7-13-24(4)15-19-28(31)32)10-6-12-23(3)14-16-25-20-26(29(33)34)17-18-27(25)30/h9-10,13-14,17-18,20H,5-8,11-12,15-16,19,30H2,1-4H3,(H,31,32)(H,33,34)/b21-10+,22-9+,23-14+,24-13+
InChIKeyMGUXKTPWMQWLJV-GYSDPYPCSA-N
Species of MetaboliteComponentSourceComments
Xanthomonas citri pv. mangiferaeindicae (ncbitaxon:454594) - PubMed (27232656)
ChEBI Ontology
Outgoing Relation(s)
Xanthomonic acid (CHEBI:227747) is a diterpenoid (CHEBI:23849)
IUPAC Name 
4-amino-3-[(2E,6E,10E,14E)-17-carboxy-3,7,11,15-tetramethylheptadeca-2,6,10,14-tetraenyl]benzoic acid
Manual XrefsDatabases
76812079ChemSpider