CHEBI:186767 - 6-[4-(2-carboxyethyl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

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ChEBI Name 6-[4-(2-carboxyethyl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:186767
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C16H20O11
Net Charge 0
Average Mass 388.325
Monoisotopic Mass 388.10056
InChI InChI=1S/C16H20O11/c1-25-8-4-6(2-3-10(18)19)7(17)5-9(8)26-16-13(22)11(20)12(21)14(27-16)15(23)24/h4-5,11-14,16-17,20-22H,2-3H2,1H3,(H,18,19)(H,23,24)
InChIKey KNLZSVGSSKYXOH-UHFFFAOYSA-N
SMILES O1C(OC2=C(OC)C=C(C(O)=C2)CCC(O)=O)C(O)C(O)C(O)C1C(O)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
ChEBI Ontology
Outgoing 6-[4-(2-carboxyethyl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:186767) is a glycoside (CHEBI:24400)
IUPAC Name
6-[4-(2-carboxyethyl)-5-hydroxy-2-methoxyphenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual Xref Database
HMDB0128041 HMDB
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