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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-O-malonyl-trans-rhaponticin
ChEBI ID CHEBI:177370
ChEBI ASCII Name 6-O-malonyl-trans-rhaponticin
Definition A malonate ester resulting from the formal condensation of the 6-hydroxy group of trans-rhaponticin with the carboxy group of malonic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C24H26O12
Net Charge 0
Average Mass 506.460
Monoisotopic Mass 506.14243
InChI InChI=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
InChIKey FZBULCMNVYWMJO-YKQZOWBRSA-N
SMILES COC1=CC=C(\C=C\C2=CC(O)=CC(O[C@@H]3O[C@H](COC(=O)CC(O)=O)[C@@H](O)[C@H](O)[C@H]3O)=C2)C=C1O
ChEBI Ontology
Outgoing 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 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-rhaponticin ChEBI
Last Modified
12 August 2021