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CHEBI:80679 - Limonoate A-ring-lactone

ChEBI IDCHEBI:80679
ChEBI NameLimonoate A-ring-lactone
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DownloadsMolfile
FormulaC26H32O9
Net Charge0
Average Mass488.533
Monoisotopic Mass488.20463
SMILES[H][C@]12CC[C@@](C)([C@@H](O)c3ccoc3)[C@@]3(O[C@@H]3C(=O)O)[C@]1(C)C(=O)C[C@@]1([H])C(C)(C)O[C@H]3CC(=O)OC[C@@]321
InChIInChI=1S/C26H32O9/c1-22(2)15-9-16(27)24(4)14(25(15)12-33-18(28)10-17(25)34-22)5-7-23(3,19(29)13-6-8-32-11-13)26(24)20(35-26)21(30)31/h6,8,11,14-15,17,19-20,29H,5,7,9-10,12H2,1-4H3,(H,30,31)/t14-,15-,17-,19-,20+,23-,24-,25+,26+/m0/s1
InChIKeyJQTDUZWQZNXSOU-MSGMIQHVSA-N
ChEBI Ontology
Outgoing Relation(s)
Limonoate A-ring-lactone (CHEBI:80679) is a limonoid (CHEBI:39434)
Manual XrefsDatabases
C16718KEGG COMPOUND