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CHEBI:169946 - 6-O-malonyl-trans-rhaponticin(1−)

ChEBI IDCHEBI:169946
ChEBI Name6-O-malonyl-trans-rhaponticin(1−)
Stars
ASCII Name6-O-malonyl-trans-rhaponticin(1-)
DefinitionA dicarboxylic acid monoester(1−) that is the conjugate base of 6-O-malonyl-trans-rhaponticin, resulting from the deprotonation of the carboxy group. Major microspecies at pH 7.3.
Last Modified12 August 2021
SubmitterKristian Axelsen
DownloadsMolfile
FormulaC24H25O12
Net Charge-1
Average Mass505.452
Monoisotopic Mass505.13515
SMILESCOc1ccc(/C=C/c2cc(O)cc(O[C@@H]3O[C@H](COC(=O)CC(=O)[O-])[C@@H](O)[C@H](O)[C@H]3O)c2)cc1O
InChIInChI=1S/C24H26O12/c1-33-17-5-4-12(8-16(17)26)2-3-13-6-14(25)9-15(7-13)35-24-23(32)22(31)21(30)18(36-24)11-34-20(29)10-19(27)28/h2-9,18,21-26,30-32H,10-11H2,1H3,(H,27,28)/p-1/b3-2+/t18-,21-,22+,23-,24-/m1/s1
InChIKeyFZBULCMNVYWMJO-YKQZOWBRSA-M
ChEBI Ontology
Outgoing Relation(s)
6-O-malonyl-trans-rhaponticin(1−) (CHEBI:169946) is a dicarboxylic acid monoester(1−) (CHEBI:131605)
6-O-malonyl-trans-rhaponticin(1−) (CHEBI:169946) is conjugate base of 6-O-malonyl-trans-rhaponticin (CHEBI:177370)
Incoming Relation(s)
6-O-malonyl-trans-rhaponticin (CHEBI:177370) is conjugate acid of 6-O-malonyl-trans-rhaponticin(1−) (CHEBI:169946)
IUPAC Name 
3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl 6-O-(carboxylatoacetyl)-β-D-glucopyranoside
Synonyms  Source
6-O-malonyl-trans-rhaponticin anionChEBI
6-O-malonyl-rhaponticin anionChEBI
UniProt Name  Source
6-O-malonyl-rhaponticinUniProt
Citations