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CHEBI:201085 - Integrasone

ChEBI IDCHEBI:201085
ChEBI NameIntegrasone
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SubmitterMetaboLights
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FormulaC14H20O5
Net Charge0
Average Mass268.309
Monoisotopic Mass268.13107
SMILESCCCCCC[C@H]1OC(=O)C2=C1[C@@H](O)[C@@H]1O[C@@H]1[C@@H]2O
InChIInChI=1S/C14H20O5/c1-2-3-4-5-6-7-8-9(14(17)18-7)11(16)13-12(19-13)10(8)15/h7,10-13,15-16H,2-6H2,1H3/t7-,10-,11-,12+,13-/m1/s1
InChIKeyOHAVJEXAZZCXML-KDRYVUTISA-N
ChEBI Ontology
Outgoing Relation(s)
Integrasone (CHEBI:201085) is a butenolide (CHEBI:50523)
IUPAC Name 
(1aR,2R,5R,6R,6aS)-5-hexyl-2,6-dihydroxy-2,5,6,6a-tetrahydro-1aH-oxireno[2,3-][2]benzouran-3-one
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2278725ChemSpider