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CHEBI:177370 - 6-O-malonyl-trans-rhaponticin

ChEBI IDCHEBI:177370
ChEBI Name6-O-malonyl-trans-rhaponticin
Stars
ASCII Name6-O-malonyl-trans-rhaponticin
DefinitionA malonate ester resulting from the formal condensation of the 6-hydroxy group of trans-rhaponticin with the carboxy group of malonic acid.
Last Modified12 August 2021
SubmitterAdnan
DownloadsMolfile
FormulaC24H26O12
Net Charge0
Average Mass506.460
Monoisotopic Mass506.14243
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)/b3-2+/t18-,21-,22+,23-,24-/m1/s1
InChIKeyFZBULCMNVYWMJO-YKQZOWBRSA-N
ChEBI Ontology
Outgoing Relation(s)
6-O-malonyl-trans-rhaponticin (CHEBI:177370) has functional parent trans-rhaponticin (CHEBI:8824)
6-O-malonyl-trans-rhaponticin (CHEBI:177370) is a O-acyl carbohydrate (CHEBI:52782)
6-O-malonyl-trans-rhaponticin (CHEBI:177370) is a malonate ester (CHEBI:38083)
6-O-malonyl-trans-rhaponticin (CHEBI:177370) is a monomethoxybenzene (CHEBI:25235)
6-O-malonyl-trans-rhaponticin (CHEBI:177370) is a monosaccharide derivative (CHEBI:63367)
6-O-malonyl-trans-rhaponticin (CHEBI:177370) is a polyphenol (CHEBI:26195)
6-O-malonyl-trans-rhaponticin (CHEBI:177370) is a stilbenoid (CHEBI:26776)
6-O-malonyl-trans-rhaponticin (CHEBI:177370) is conjugate acid of 6-O-malonyl-trans-rhaponticin(1−) (CHEBI:169946)
Incoming Relation(s)
6-O-malonyl-trans-rhaponticin(1−) (CHEBI:169946) is conjugate base of 6-O-malonyl-trans-rhaponticin (CHEBI:177370)
IUPAC Name 
3-hydroxy-5-[(E)-2-(3-hydroxy-4-methoxyphenyl)ethenyl]phenyl 6-O-(carboxyacetyl)-β-D-glucopyranoside
Synonym  Source
6-O-malonyl-rhaponticinChEBI