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)

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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

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ChEBI ID	CHEBI:193503
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
Stars
Submitter	mwilliams
Downloads	Molfile

Formula	C17H18O12
Net Charge	0
Average Mass	414.319
Monoisotopic Mass	414.07983
SMILES	COc1c(OC2OC(C(=O)O)C(O)C(O)C2O)c(/C=C/C(=O)O)cc2c1OCO2
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

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	feces (BTO:0000440)	MetaboLights (MTBLS5335)

ChEBI Ontology

Outgoing Relation(s)
	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)