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CHEBI:47591 - (5E)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3H,11H)-dione

Default Structure
ChEBI IDCHEBI:47591
ChEBI Name(5E)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3H,11H)-dione
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DownloadsMolfile
FormulaC16H17ClO5
Net Charge0
Average Mass324.760
Monoisotopic Mass324.07645
SMILES[H]Oc1c([H])c(O[H])c2c(c1Cl)C([H])([H])C(=O)C([H])([H])C([H])([H])C([H])([H])/C([H])=C(\[H])C([H])([H])C([H])([H])OC2=O
InChIInChI=1S/C16H17ClO5/c17-15-11-8-10(18)6-4-2-1-3-5-7-22-16(21)14(11)12(19)9-13(15)20/h1,3,9,19-20H,2,4-8H2/b3-1+
InChIKeyAQKZYZQONWDDLS-HNQUOIGGSA-N
ChEBI Ontology
Outgoing Relation(s)
(5E)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3H,11H)-dione (CHEBI:47591) is a unclassifieds (CHEBI:27189)
Synonym  Source
(5E)-12-chloro-13,15-dihydroxy-4,7,8,9-tetrahydro-2-benzoxacyclotridecine-1,10(3H,11H)-dionePDBeChem
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