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CHEBI:192960 - 6-{[2-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,5-dihydroxy-6-methyloxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid

ChEBI IDCHEBI:192960
ChEBI Name6-{[2-({4,5-dihydroxy-6-methyl-2-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]oxan-3-yl}oxy)-3,5-dihydroxy-6-methyloxan-4-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(O)C(OC3OC(C(=O)O)C(O)C(O)C3O)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_c3-d1
InChIInChI=1S/C24H40O20/c1-4-7(25)12(30)19(24(40-4)38-3-6-9(27)10(28)14(32)21(37)41-6)44-23-16(34)17(8(26)5(2)39-23)42-22-15(33)11(29)13(31)18(43-22)20(35)36/h4-19,21-34,37H,3H2,1-2H3,(H,35,36)
InChIKeyGMWYBEZNNIXKDO-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Cryptomeria (ncbitaxon:3368) needle (BTO:0000917) MetaboLights (MTBLS3183) Strain: Cryptomeria fortunei Hooibrenk
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)-3,5-dihydroxy-6-methyloxan-4-yl]oxy}-3,4,5-trihydroxyoxane-2-carboxylic acid (CHEBI:192960) 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-3,5-dihydroxy-6-methyloxan-4-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid