CHEBI:169356 - 3,4,5-trihydroxy-6-{2,3,4,6-tetrahydroxy-5-[3-(4-methoxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3,4,5-trihydroxy-6-{2,3,4,6-tetrahydroxy-5-[3-(4-methoxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid
ChEBI ID CHEBI:169356
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O13
Net Charge 0
Average Mass 496.421
Monoisotopic Mass 496.12169
InChI InChI=1S/C22H24O13/c1-33-9-5-2-8(3-6-9)4-7-10(23)11-12(24)14(26)16(28)19(13(11)25)34-22-18(30)15(27)17(29)20(35-22)21(31)32/h2-3,5-6,15,17-18,20,22,24-30H,4,7H2,1H3,(H,31,32)
InChIKey MFIRYKFVKUPBTI-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC2=C(O)C(=C(O)C(O)=C2O)C(=O)CCC3=CC=C(OC)C=C3)C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 3,4,5-trihydroxy-6-{2,3,4,6-tetrahydroxy-5-[3-(4-methoxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:169356) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-{2,3,4,6-tetrahydroxy-5-[3-(4-methoxyphenyl)propanoyl]phenoxy}oxane-2-carboxylic acid (CHEBI:169356) is a glycoside (CHEBI:24400)
IUPAC Name
3,4,5-trihydroxy-6-[2,3,4,6-tetrahydroxy-5-[3-(4-methoxyphenyl)propanoyl]phenoxy]oxane-2-carboxylic acid
Manual Xref Database
HMDB0130234 HMDB
View more database links