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CHEBI:225650 - Hetiamacin D

ChEBI IDCHEBI:225650
ChEBI NameHetiamacin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC23H33N3O7
Net Charge0
Average Mass463.531
Monoisotopic Mass463.23185
SMILESCCC1NC(=O)CC(C(O)C(O)C(=O)NC(CC(C)C)C2Cc3cccc(O)c3C(=O)O2)N1
InChIInChI=1S/C23H33N3O7/c1-4-17-24-14(10-18(28)26-17)20(29)21(30)22(31)25-13(8-11(2)3)16-9-12-6-5-7-15(27)19(12)23(32)33-16/h5-7,11,13-14,16-17,20-21,24,27,29-30H,4,8-10H2,1-3H3,(H,25,31)(H,26,28)
InChIKeyHJYLETFXUJXAHE-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (26837569)
ChEBI Ontology
Outgoing Relation(s)
Hetiamacin D (CHEBI:225650) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
3-(2-ethyl-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
78444459ChemSpider