CHEBI:193503 - 6-{[6-(2-carboxyeth-1-en-1-yl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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ChEBI Name 6-{[6-(2-carboxyeth-1-en-1-yl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
ChEBI ID CHEBI:193503
Stars This entity has been manually annotated by a third party.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C17H18O12
Net Charge 0
Average Mass 414.319
Monoisotopic Mass 414.07983
InChI InChI=1S/C17H18O12/c1-25-15-12(6(2-3-8(18)19)4-7-13(15)27-5-26-7)28-17-11(22)9(20)10(21)14(29-17)16(23)24/h2-4,9-11,14,17,20-22H,5H2,1H3,(H,18,19)(H,23,24)/b3-2+
InChIKey UJIOVQDNLNPPMW-NSCUHMNNSA-N
SMILES COC1=C(C(/C=C/C(=O)O)=CC2=C1OCO2)OC3C(C(C(C(C(=O)O)O3)O)O)O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in feces (BTO:0000440). See: MetaboLights Study
ChEBI Ontology
Outgoing 6-{[6-(2-carboxyeth-1-en-1-yl)-4-methoxy-2H-1,3-benzodioxol-5-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:193503) is a lipopolysaccharide (CHEBI:16412)