CHEBI:15787 - deoxylimonoic acid D-ring-lactone

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ChEBI Name deoxylimonoic acid D-ring-lactone
ChEBI ID CHEBI:15787
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:23633, CHEBI:4416, CHEBI:14118
Supplier Information
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Formula C26H34O9
Net Charge 0
Average Mass 490.54280
Monoisotopic Mass 490.22028
InChI InChI=1S/C26H34O9/c1-14-16(5-7-25(4)17(14)9-22(32)34-23(25)15-6-8-33-12-15)26(13-27)18(10-20(28)29)24(2,3)35-19(26)11-21(30)31/h6,8,12,16,18-19,23,27H,5,7,9-11,13H2,1-4H3,(H,28,29)(H,30,31)/t16-,18-,19-,23-,25+,26+/m0/s1
InChIKey BQKCYOXFBVKBDA-DYNITIQCSA-N
SMILES [H][C@@]1(CC(O)=O)OC(C)(C)[C@]([H])(CC(O)=O)[C@@]1(CO)[C@@]1([H])CC[C@@]2(C)[C@@H](OC(=O)CC2=C1C)c1ccoc1
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing deoxylimonoic acid D-ring-lactone (CHEBI:15787) is a dicarboxylic acid (CHEBI:35692)
deoxylimonoic acid D-ring-lactone (CHEBI:15787) is a furans (CHEBI:24129)
deoxylimonoic acid D-ring-lactone (CHEBI:15787) is a lactone (CHEBI:25000)
deoxylimonoic acid D-ring-lactone (CHEBI:15787) is a limonoid (CHEBI:39434)
deoxylimonoic acid D-ring-lactone (CHEBI:15787) is a primary alcohol (CHEBI:15734)
deoxylimonoic acid D-ring-lactone (CHEBI:15787) is conjugate acid of deoxylimononate D-ring-lactone(2−) (CHEBI:57516)
Incoming deoxylimononate D-ring-lactone(2−) (CHEBI:57516) is conjugate base of deoxylimonoic acid D-ring-lactone (CHEBI:15787)
IUPAC Name
2,2'-[(2S,3R,4R)-3-[(1R,6S,8aR)-1-(3-furyl)-5,8a-dimethyl-3-oxo-3,4,6,7,8,8a-hexahydro-1H-2-benzopyran-6-yl]-3-(hydroxymethyl)-5,5-dimethyltetrahydrofuran-2,4-diyl]diacetic acid
Synonym Source
Deoxylimononic acid D-ring-lactone KEGG COMPOUND
Manual Xref Database
C04251 KEGG COMPOUND
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Last Modified
31 January 2019