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CHEBI:193924 - 6-{[6-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:193924
ChEBI Name6-{[6-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40O20
Net Charge0
Average Mass648.564
Monoisotopic Mass648.21129
SMILESCC1OC(OCC2OC(O)C(O)C(O)C2O)C(OC2OC(C)C(OC3OC(C(=O)O)C(O)C(O)C3O)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_c4-d1
InChIInChI=1S/C24H40O20/c1-4-7(25)11(29)19(24(39-4)38-3-6-8(26)9(27)14(32)21(37)41-6)44-22-16(34)13(31)17(5(2)40-22)42-23-15(33)10(28)12(30)18(43-23)20(35)36/h4-19,21-34,37H,3H2,1-2H3,(H,35,36)
InChIKeyVDSSDVHFXONFCP-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
synthetic microbial community (ncbitaxon:3229850) Whole Organism (NCIT:C13413) MetaboLights (MTBLS3129)
ChEBI Ontology
Outgoing Relation(s)
6-{[6-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-4,5-dihydroxy-2-methyloxan-3-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:193924) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
6-[6-[4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid