CHEBI:216926 - Microansamycin H

ChEBI IDCHEBI:216926
ChEBI NameMicroansamycin H
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H21NO6
Net Charge0
Average Mass335.356
Monoisotopic Mass335.13689
SMILESCCC(=O)Nc1cc(O)cc2c1O[C@H](C=C(C)C(=O)O)[C@@H](O)CC2
InChIInChI=1S/C17H21NO6/c1-3-15(21)18-12-8-11(19)7-10-4-5-13(20)14(24-16(10)12)6-9(2)17(22)23/h6-8,13-14,19-20H,3-5H2,1-2H3,(H,18,21)(H,22,23)/t13-,14+/m0/s1
InChIKeyKOLISZHOJXSQBZ-UONOGXRCSA-N
Species of MetaboliteComponentSourceComments
Micromonosporaspecies (ncbitaxon:1876) - PubMed (29412682)
ChEBI Ontology
Outgoing Relation(s)
Microansamycin H (CHEBI:216926) is a oxacycle (CHEBI:38104)
IUPAC Name 
3-[(2R,3S)-3,7-dihydroxy-9-(propanoylamino)-2,3,4,5-tetrahydro-1-benzoxepin-2-yl]-2-methylprop-2-enoic acid
Manual XrefsDatabases
78439354ChemSpider