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CHEBI:174821 - Cyclocalopin E

ChEBI IDCHEBI:174821
ChEBI NameCyclocalopin E
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SubmitterMetaboLights
DownloadsMolfile
FormulaC15H20O6
Net Charge0
Average Mass296.319
Monoisotopic Mass296.12599
SMILES[H][C@]12[C@H](C)COC(=O)[C@@]1([H])O[C@@]1(C)O[C@@]3([H])C[C@]12[C@@H](O)C(=O)[C@H]3C
InChIInChI=1S/C15H20O6/c1-6-5-19-13(18)11-9(6)15-4-8(20-14(15,3)21-11)7(2)10(16)12(15)17/h6-9,11-12,17H,4-5H2,1-3H3/t6-,7+,8+,9+,11+,12+,14-,15+/m1/s1
InChIKeyHQXFOQULVCDQQO-LXVFBTDTSA-N
ChEBI Ontology
Outgoing Relation(s)
Cyclocalopin E (CHEBI:174821) is a furopyran (CHEBI:74927)
IUPAC Name 
(1S,2R,3S,7S,9R,11S,12S,14R)-14-hydroxy-3,9,12-trimethyl-5,8,10-trioxatetracyclo[9.3.1.01,9.02,7]pentadecane-6,13-dione
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9067034ChemSpider