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CHEBI:219037 - Agistatin E

ChEBI IDCHEBI:219037
ChEBI NameAgistatin E
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SubmitterMetaboLights
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FormulaC11H16O5
Net Charge0
Average Mass228.244
Monoisotopic Mass228.09977
SMILESCC[C@@H]1CC[C@]2(O)O[C@H]3CC(=O)[C@]2(O)[C@@H]1O3
InChIInChI=1S/C11H16O5/c1-2-6-3-4-10(13)11(14)7(12)5-8(16-10)15-9(6)11/h6,8-9,13-14H,2-5H2,1H3/t6-,8+,9-,10+,11+/m1/s1
InChIKeyNJLUHFDDAQPMDI-GSLIMFEQSA-N
ChEBI Ontology
Outgoing Relation(s)
Agistatin E (CHEBI:219037) is a dioxanes (CHEBI:46926)
IUPAC Name 
(1S,3S,6R,7R,8R)-6-ethyl-3,8-dihydroxy-2,11-dioxatricyclo[5.3.1.03,8]undecan-9-one
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64849565ChemSpider