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CHEBI:212114 - Chartrenoline

ChEBI IDCHEBI:212114
ChEBI NameChartrenoline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H18N2O6
Net Charge0
Average Mass358.350
Monoisotopic Mass358.11649
SMILESC[C@H]1C2=C3[C@@H](CCN4C(=O)O[C@H]([C@H]2O)[C@H]34)ON1c1ccc(C(=O)O)cc1
InChIInChI=1S/C18H18N2O6/c1-8-12-13-11(6-7-19-14(13)16(15(12)21)25-18(19)24)26-20(8)10-4-2-9(3-5-10)17(22)23/h2-5,8,11,14-16,21H,6-7H2,1H3,(H,22,23)/t8-,11+,14-,15-,16-/m0/s1
InChIKeyHFOOBTGMIDQUPB-HPNFRWIHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1016/j.cclet.2018.10.030)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
Chartrenoline (CHEBI:212114) is a benzoic acids (CHEBI:22723)
IUPAC Name 
4-[(1S,7R,10S,13S,14S)-14-hydroxy-10-methyl-3-oxo-2,8-dioxa-4,9-diazatetracyclo[9.2.1.04,13.07,12]tetradec-11-en-9-yl]benzoic acid
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71266906ChemSpider