CHEBI:169160 - 3,4,5-trihydroxy-6-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid

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ChEBI Name 3,4,5-trihydroxy-6-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid
ChEBI ID CHEBI:169160
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C22H24O9
Net Charge 0
Average Mass 432.425
Monoisotopic Mass 432.14203
InChI InChI=1S/C22H24O9/c1-29-13-8-9-14(15(23)10-7-12-5-3-2-4-6-12)16(11-13)30-22-19(26)17(24)18(25)20(31-22)21(27)28/h2-6,8-9,11,17-20,22,24-26H,7,10H2,1H3,(H,27,28)
InChIKey KWCKFFVBKFBLPV-UHFFFAOYSA-N
SMILES O1C(OC2=C(C(=O)CCC3=CC=CC=C3)C=CC(OC)=C2)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-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid (CHEBI:169160) is a flavonoids (CHEBI:72544)
3,4,5-trihydroxy-6-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid (CHEBI:169160) is a glycoside (CHEBI:24400)
IUPAC Name
3,4,5-trihydroxy-6-[5-methoxy-2-(3-phenylpropanoyl)phenoxy]oxane-2-carboxylic acid
Manual Xref Database
HMDB0135635 HMDB
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