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CHEBI:180507 - Taxol side chain diol

ChEBI IDCHEBI:180507
ChEBI NameTaxol side chain diol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H17NO3
Net Charge0
Average Mass271.316
Monoisotopic Mass271.12084
SMILESO=C(N[C@@H](c1ccccc1)[C@@H](O)CO)c1ccccc1
InChIInChI=1S/C16H17NO3/c18-11-14(19)15(12-7-3-1-4-8-12)17-16(20)13-9-5-2-6-10-13/h1-10,14-15,18-19H,11H2,(H,17,20)/t14-,15-/m0/s1
InChIKeyOCRUDDLKDFDNGT-GJZGRUSLSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS3233)
ChEBI Ontology
Outgoing Relation(s)
Taxol side chain diol (CHEBI:180507) is a benzenes (CHEBI:22712)
IUPAC Name 
N-[(1S,2R)-2,3-dihydroxy-1-phenylpropyl]benzamide
Manual XrefsDatabases
62857657ChemSpider