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CHEBI:206794 - Nabscebetain B

ChEBI IDCHEBI:206794
ChEBI NameNabscebetain B
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SubmitterMetaboLights
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FormulaC22H24N2O9
Net Charge0
Average Mass460.439
Monoisotopic Mass460.14818
SMILESCc1cccc(O)c1C(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OC(N)=O)C[C@@H]1NC(=O)c1cccc(O)c1
InChIInChI=1S/C22H24N2O9/c1-10-4-2-7-14(26)16(10)21(30)33-19-13(9-15(32-22(23)31)17(27)18(19)28)24-20(29)11-5-3-6-12(25)8-11/h2-8,13,15,17-19,25-28H,9H2,1H3,(H2,23,31)(H,24,29)/t13-,15+,17-,18+,19+/m0/s1
InChIKeySAMSFFYLHHWKPS-AVCZALEUSA-N
Species of MetaboliteComponentSourceComments
Nocardia (ncbitaxon:1817) - PubMed (28112922)
ChEBI Ontology
Outgoing Relation(s)
Nabscebetain B (CHEBI:206794) has functional parent salicylic acid (CHEBI:16914)
Nabscebetain B (CHEBI:206794) is a benzoate ester (CHEBI:36054)
Nabscebetain B (CHEBI:206794) is a phenols (CHEBI:33853)
IUPAC Name 
[(1R,2R,3R,4R,6S)-4-carbamoyloxy-2,3-dihydroxy-6-[(3-hydroxybenzoyl)amino]cyclohexyl] 2-hydroxy-6-methylbenzoate
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