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CHEBI:225640 - Hetiamacin B

ChEBI IDCHEBI:225640
ChEBI NameHetiamacin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33N3O7
Net Charge0
Average Mass463.531
Monoisotopic Mass463.23185
SMILESCC(C)CC(NC(=O)C(O)C(O)C1CC(=O)NC(C)(C)N1)C1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C23H33N3O7/c1-11(2)8-13(16-9-12-6-5-7-15(27)18(12)22(32)33-16)24-21(31)20(30)19(29)14-10-17(28)26-23(3,4)25-14/h5-7,11,13-14,16,19-20,25,27,29-30H,8-10H2,1-4H3,(H,24,31)(H,26,28)
InChIKeyUVKYEQFWUKUFEU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (26837569)
ChEBI Ontology
Outgoing Relation(s)
Hetiamacin B (CHEBI:225640) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
3-(2,2-dimethyl-6-oxo-1,3-diazinan-4-yl)-2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]propanamide
Manual XrefsDatabases
78444457ChemSpider