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CHEBI:192364 - secoxyloganin(1−)

ChEBI IDCHEBI:192364
ChEBI Namesecoxyloganin(1−)
Stars
ASCII Namesecoxyloganin(1-)
DefinitionA 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.
Last Modified7 July 2022
SubmitterAnne Morgat
DownloadsMolfile
FormulaC17H23O11
Net Charge-1
Average Mass403.360
Monoisotopic Mass403.12459
SMILESC=C[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)[O-]
InChIInChI=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
InChIKeyMQLSOVRLZHTATK-PEYNGXJCSA-M
ChEBI Ontology
Outgoing Relation(s)
secoxyloganin(1−) (CHEBI:192364) is a dicarboxylic acid monoester(1−) (CHEBI:131605)
secoxyloganin(1−) (CHEBI:192364) is conjugate base of secoxyloganin (CHEBI:132712)
Incoming Relation(s)
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
Synonym  Source
secoxyloganin anionChEBI
UniProt Name  Source
secoxyloganinUniProt
Citations