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CHEBI:168080 - 6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]oxane-2,3,4,5-tetrol

ChEBI IDCHEBI:168080
ChEBI Name6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]oxane-2,3,4,5-tetrol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC18H32O14
Net Charge0
Average Mass472.440
Monoisotopic Mass472.17921
SMILESCC1OC(OC2C(OCC3OC(O)C(O)C(O)C3O)OC(C)C(O)C2O)C(O)C(O)C1O
WURCSWURCS=2.0/2,3,2/[axxxxh-1x_1-5][axxxxm-1x_1-5]/1-2-2/a6-b1_b2-c1
InChIInChI=1S/C18H32O14/c1-4-7(19)10(22)14(26)17(29-4)32-15-12(24)8(20)5(2)30-18(15)28-3-6-9(21)11(23)13(25)16(27)31-6/h4-27H,3H2,1-2H3
InChIKeyQGEAIAIKGQTYBI-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)
6-[({4,5-dihydroxy-6-methyl-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)methyl]oxane-2,3,4,5-tetrol (CHEBI:168080) is a oligosaccharide (CHEBI:50699)
IUPAC Name 
6-[[4,5-dihydroxy-6-methyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
Manual XrefsDatabases
HMDB0127459HMDB