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CHEBI:185621 - 6-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:185621
ChEBI Name6-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H30O16
Net Charge0
Average Mass502.422
Monoisotopic Mass502.15338
SMILESCC1OC(OCC2OC(O)C(O)C(O)C2O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O
WURCSWURCS=2.0/3,3,2/[axxxxh-1x_1-5][axxxxm-1x_1-5][axxxxA-1x_1-5]/1-2-3/a6-b1_b2-c1
InChIInChI=1S/C18H30O16/c1-3-5(19)9(23)14(34-17-12(26)8(22)10(24)13(33-17)15(27)28)18(31-3)30-2-4-6(20)7(21)11(25)16(29)32-4/h3-14,16-26,29H,2H2,1H3,(H,27,28)
InChIKeyIBPZWKIKHFYCCU-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
ChEBI Ontology
Outgoing Relation(s)
6-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:185621) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
6-[4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0124744HMDB