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CHEBI:220747 - Adecypenol

ChEBI IDCHEBI:220747
ChEBI NameAdecypenol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H16N4O4
Net Charge0
Average Mass280.284
Monoisotopic Mass280.11715
SMILESOCC1=C[C@@H](n2cnc3c2NC=NCC3O)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H16N4O4/c17-3-6-1-7(11(20)10(6)19)16-5-15-9-8(18)2-13-4-14-12(9)16/h1,4-5,7-8,10-11,17-20H,2-3H2,(H,13,14)/t7-,8?,10-,11+/m1/s1
InChIKeyWJSAFKJWCOMTLH-IKBIKEAHSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (3957791)
ChEBI Ontology
Outgoing Relation(s)
Adecypenol (CHEBI:220747) is a imidazodiazepine (CHEBI:39305)
IUPAC Name 
(1S,2R,5R)-5-(8-hydroxy-7,8-dihydro-4H-imidazo[4,5-d][1,3]diazepin-3-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
Manual XrefsDatabases
439633ChemSpider