CHEBI:80679 - Limonoate A-ring-lactone

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ChEBI Name Limonoate A-ring-lactone
ChEBI ID CHEBI:80679
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C26H32O9
Net Charge 0
Average Mass 488.52690
Monoisotopic Mass 488.20463
InChI InChI=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
InChIKey JQTDUZWQZNXSOU-MSGMIQHVSA-N
SMILES CC1(C)O[C@H]2CC(=O)OC[C@@]22[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@](C)([C@@H](O)c2ccoc2)[C@@]11O[C@@H]1C(O)=O
ChEBI Ontology
Outgoing Limonoate A-ring-lactone (CHEBI:80679) is a limonoid (CHEBI:39434)
Manual Xref Database
C16718 KEGG COMPOUND
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