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CHEBI:222597 - Adechlorin

ChEBI IDCHEBI:222597
ChEBI NameAdechlorin
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H15ClN4O4
Net Charge0
Average Mass302.718
Monoisotopic Mass302.07818
SMILESOC[C@H]1O[C@@H](n2cnc3c2NC=NC[C@H]3O)[C@H](Cl)[C@@H]1O
InChIInChI=1S/C11H15ClN4O4/c12-7-9(19)6(2-17)20-11(7)16-4-15-8-5(18)1-13-3-14-10(8)16/h3-7,9,11,17-19H,1-2H2,(H,13,14)/t5-,6-,7-,9-,11-/m1/s1
InChIKeyJYWSHPMZFVPRRF-AMFMTJJISA-N
Species of MetaboliteComponentSourceComments
Actinomadura (ncbitaxon:1988) - PubMed (3840153)
ChEBI Ontology
Outgoing Relation(s)
Adechlorin (CHEBI:222597) is a imidazodiazepine (CHEBI:39305)
IUPAC Name 
(8R)-3-[(2R,3R,4R,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-8-ol
Manual XrefsDatabases
111974ChemSpider