EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:225645 - Hetiamacin C

ChEBI IDCHEBI:225645
ChEBI NameHetiamacin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H31N3O7
Net Charge0
Average Mass449.504
Monoisotopic Mass449.21620
SMILESCC(C)CC(NC(=O)C(O)C(O)C1CC(=O)NC(C)N1)C1Cc2cccc(O)c2C(=O)O1
InChIInChI=1S/C22H31N3O7/c1-10(2)7-13(16-8-12-5-4-6-15(26)18(12)22(31)32-16)25-21(30)20(29)19(28)14-9-17(27)24-11(3)23-14/h4-6,10-11,13-14,16,19-20,23,26,28-29H,7-9H2,1-3H3,(H,24,27)(H,25,30)
InChIKeyWAFFUBPVCLGDOV-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Bacillus (ncbitaxon:1386) - PubMed (26837569)
ChEBI Ontology
Outgoing Relation(s)
Hetiamacin C (CHEBI:225645) is a 2-benzopyran (CHEBI:38444)
IUPAC Name 
2,3-dihydroxy-N-[1-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-3-methylbutyl]-3-(2-methyl-6-oxo-1,3-diazinan-4-yl)propanamide
Manual XrefsDatabases
78444458ChemSpider