CHEBI:192364 - secoxyloganin(1−)

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ChEBI Name secoxyloganin(1−)
ChEBI ID CHEBI:192364
ChEBI ASCII Name secoxyloganin(1-)
Definition A dicarboxylic acid monoester(1−) that is the conjugate base of secoxyloganin, resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Anne Morgat
Supplier Information
Download Molfile XML SDF
Formula C17H23O11
Net Charge -1
Average Mass 403.361
Monoisotopic Mass 403.12459
InChI InChI=1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/p-1/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1
InChIKey MQLSOVRLZHTATK-PEYNGXJCSA-M
SMILES COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C=C)[C@@H]1CC([O-])=O
ChEBI Ontology
Outgoing secoxyloganin(1−) (CHEBI:192364) is a dicarboxylic acid monoester(1−) (CHEBI:131605)
secoxyloganin(1−) (CHEBI:192364) is conjugate base of secoxyloganin (CHEBI:132712)
Incoming secoxyloganin (CHEBI:132712) is conjugate acid of secoxyloganin(1−) (CHEBI:192364)
IUPAC Name
[(2S,3R,4S)-3-ethenyl-2-(β-D-glucopyranosyloxy)-5-(methoxycarbonyl)-3,4-dihydro-2H-pyran-4-yl]acetate
Synonyms Sources
secoxyloganin UniProt
secoxyloganin anion ChEBI
Citations Waiting for Citations Types Sources
26285573 PubMed citation SUBMITTER
27736194 PubMed citation SUBMITTER
Last Modified
07 July 2022