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CHEBI:169129 - 3,4,5-trihydroxy-6-({4-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)oxane-2-carboxylic acid

ChEBI IDCHEBI:169129
ChEBI Name3,4,5-trihydroxy-6-({4-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)oxane-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(OC3OC(C(=O)O)C(O)C(O)C3O)C2O)C(O)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_b4-d1
InChIInChI=1S/C24H40O20/c1-4-7(25)9(27)14(32)22(39-4)44-19-16(34)17(42-23-15(33)11(29)12(30)18(43-23)20(35)36)5(2)40-24(19)38-3-6-8(26)10(28)13(31)21(37)41-6/h4-19,21-34,37H,3H2,1-2H3,(H,35,36)
InChIKeyCQUVUZJZXPMFCL-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
3,4,5-trihydroxy-6-({4-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl}oxy)oxane-2-carboxylic acid (CHEBI:169129) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
3,4,5-trihydroxy-6-[4-hydroxy-2-methyl-6-[(3,4,5,6-tetrahydroxyoxan-2-yl)methoxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxane-2-carboxylic acid
Manual XrefsDatabases
HMDB0127460HMDB