CHEBI:168730 - 3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-3-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid

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ChEBI Name 3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-3-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid
ChEBI ID CHEBI:168730
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/c1-7(14(26)13-10(24)5-8(23)6-11(13)25)9-3-4-12(33-2)19(15(9)27)34-22-18(30)16(28)17(29)20(35-22)21(31)32/h3-7,16-18,20,22-25,27-30H,1-2H3,(H,31,32)
InChIKey PIXBPENFPLPJLW-UHFFFAOYSA-N
SMILES O1C(OC=2C(O)=C(C(C(=O)C3=C(O)C=C(O)C=C3O)C)C=CC2OC)C(O)C(O)C(O)C1C(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-hydroxy-6-methoxy-3-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid (CHEBI:168730) is a glycoside (CHEBI:24400)
3,4,5-trihydroxy-6-{2-hydroxy-6-methoxy-3-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy}oxane-2-carboxylic acid (CHEBI:168730) is a stilbenoid (CHEBI:26776)
IUPAC Name
3,4,5-trihydroxy-6-[2-hydroxy-6-methoxy-3-[1-oxo-1-(2,4,6-trihydroxyphenyl)propan-2-yl]phenoxy]oxane-2-carboxylic acid
Manual Xref Database
HMDB0133884 HMDB
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