CHEBI:168908 - 6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:168908
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C24H28O13
Net Charge 0
Average Mass 524.475
Monoisotopic Mass 524.15299
InChI InChI=1S/C24H28O13/c1-33-15-6-10(7-16(34-2)21(15)35-3)4-5-12(26)17-13(27)8-11(25)9-14(17)36-24-20(30)18(28)19(29)22(37-24)23(31)32/h6-9,18-20,22,24-25,27-30H,4-5H2,1-3H3,(H,31,32)
InChIKey NVXPJTUKBPKAED-UHFFFAOYSA-N
SMILES O1C(C(O)C(O)C(O)C1OC=2C(C(=O)CCC3=CC(OC)=C(OC)C(OC)=C3)=C(O)C=C(O)C2)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 6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168908) is a flavonoids (CHEBI:72544)
6-{3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:168908) is a glycoside (CHEBI:24400)
IUPAC Name
6-[3,5-dihydroxy-2-[3-(3,4,5-trimethoxyphenyl)propanoyl]phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xrefs Databases
74886504 ChemSpider
HMDB0124886 HMDB
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