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CHEBI:218546 - Agistatin D

ChEBI IDCHEBI:218546
ChEBI NameAgistatin D
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SubmitterMetaboLights
DownloadsMolfile
FormulaC11H14O4
Net Charge0
Average Mass210.229
Monoisotopic Mass210.08921
SMILESCC[C@@H]1CC=C2OC=CC(=O)[C@]2(O)[C@@H]1O
InChIInChI=1S/C11H14O4/c1-2-7-3-4-9-11(14,10(7)13)8(12)5-6-15-9/h4-7,10,13-14H,2-3H2,1H3/t7-,10-,11-/m1/s1
InChIKeyJNJNTFPIOCKSTA-AVPPRXQKSA-N
ChEBI Ontology
Outgoing Relation(s)
Agistatin D (CHEBI:218546) is a pyranone (CHEBI:37963)
IUPAC Name 
(4aS,5R,6R)-6-ethyl-4a,5-dihydroxy-6,7-dihydro-5H-chromen-4-one
Manual XrefsDatabases
32818332ChemSpider