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CHEBI:193923 - 6-{[2-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:193923
ChEBI Name6-{[2-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O20
Net Charge0
Average Mass648.564
Monoisotopic Mass648.21129
SMILESCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OC(C)C(O)C2O)C(OC2OC(C(=O)O)C(O)C(O)C2O)C(O)C1O
WURCSWURCS=2.0/3,4,3/[axxxxh-1x_1-5][axxxxm-1x_1-5][axxxxA-1x_1-5]/1-2-2-3/a6-b1_b2-c1_c2-d1
InChIInChI=1S/C24H40O20/c1-4-7(25)12(30)18(23(39-4)38-3-6-9(27)10(28)15(33)21(37)41-6)44-24-19(13(31)8(26)5(2)40-24)43-22-16(34)11(29)14(32)17(42-22)20(35)36/h4-19,21-34,37H,3H2,1-2H3,(H,35,36)
InChIKeyXLEAAYFZKYQCTA-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
6-{[2-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-4,5-dihydroxy-6-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:193923) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
6-[2-[4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid