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CHEBI:202961 - Dandamycin

ChEBI IDCHEBI:202961
ChEBI NameDandamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H13NO4
Net Charge0
Average Mass247.250
Monoisotopic Mass247.08446
SMILESO=C1C=C2Nc3cc(CO)ccc3O[C@H]2[C@@H]1CO
InChIInChI=1S/C13H13NO4/c15-5-7-1-2-12-9(3-7)14-10-4-11(17)8(6-16)13(10)18-12/h1-4,8,13-16H,5-6H2/t8-,13+/m1/s1
InChIKeyPJLBDIIUBQPQGJ-OQPBUACISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (25690358)
ChEBI Ontology
Outgoing Relation(s)
Dandamycin (CHEBI:202961) is a benzoxazine (CHEBI:46969)
IUPAC Name 
(3S,3aS)-3,7-bis(hydroxymethyl)-3a,9-dihydro-3H-cyclopenta[b][1,4]benzoxazin-2-one
Manual XrefsDatabases
78436941ChemSpider