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CHEBI:222175 - N-acetylaureothamine

ChEBI IDCHEBI:222175
ChEBI NameN-acetylaureothamine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H27NO5
Net Charge0
Average Mass409.482
Monoisotopic Mass409.18892
SMILESCOc1oc([C@@H]2C/C(=C/C(C)=C/c3ccc(NC(C)=O)cc3)CO2)c(C)c(=O)c1C
InChIInChI=1S/C24H27NO5/c1-14(10-18-6-8-20(9-7-18)25-17(4)26)11-19-12-21(29-13-19)23-15(2)22(27)16(3)24(28-5)30-23/h6-11,21H,12-13H2,1-5H3,(H,25,26)/b14-10+,19-11-/t21-/m0/s1
InChIKeyZTZOKXOFRGHKSG-NLGURRDJSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (11079808)
ChEBI Ontology
Outgoing Relation(s)
N-acetylaureothamine (CHEBI:222175) is a acetamides (CHEBI:22160)
N-acetylaureothamine (CHEBI:222175) is a anilide (CHEBI:13248)
IUPAC Name 
N-[4-[(E,3Z)-3-[5-(6-methoxy-3,5-dimethyl-4-oxopyran-2-yl)oxolan-3-ylidene]-2-methylprop-1-enyl]phenyl]acetamide
Manual XrefsDatabases
8154461ChemSpider