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CHEBI:212049 - O-Demethylvirantmycin

ChEBI IDCHEBI:212049
ChEBI NameO-Demethylvirantmycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H24ClNO3
Net Charge0
Average Mass337.847
Monoisotopic Mass337.14447
SMILESCC(C)=C(C)CC[C@]1(CO)Nc2ccc(C(=O)O)cc2C[C@H]1Cl
InChIInChI=1S/C18H24ClNO3/c1-11(2)12(3)6-7-18(10-21)16(19)9-14-8-13(17(22)23)4-5-15(14)20-18/h4-5,8,16,20-21H,6-7,9-10H2,1-3H3,(H,22,23)/t16-,18-/m1/s1
InChIKeyDGGLCZSELPWDEN-SJLPKXTDSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1021/jacs.8b02769)
ChEBI Ontology
Outgoing Relation(s)
O-Demethylvirantmycin (CHEBI:212049) is a quinolines (CHEBI:26513)
IUPAC Name 
(2R,3R)-3-chloro-2-(3,4-dimethylpent-3-enyl)-2-(hydroxymethyl)-3,4-dihydro-1H-quinoline-6-carboxylic acid