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CHEBI:758958 - 13

Default Structure
ChEBI IDCHEBI:758958
ChEBI Name13
Stars
Last Modified30 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC22H29ClO6
Net Charge0
Average Mass424.921
Monoisotopic Mass424.16527
SMILESO=C(O)CCC/C=C\CC[C@H]1[C@@H](O)CO[C@@H]1/C=C/[C@@H](O)COc1cccc(Cl)c1
InChIInChI=1S/C22H29ClO6/c23-16-7-6-8-18(13-16)28-14-17(24)11-12-21-19(20(25)15-29-21)9-4-2-1-3-5-10-22(26)27/h1-2,6-8,11-13,17,19-21,24-25H,3-5,9-10,14-15H2,(H,26,27)/b2-1-,12-11+/t17-,19+,20+,21-/m1/s1
InChIKeyWUNKVQMYVMDXED-ZLOZFKNKSA-N
ChEBI Ontology
Outgoing Relation(s)
13 (CHEBI:758958) is a carbonyl compound (CHEBI:36586)
Synonym  Source
13ChEMBL