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CHEBI:169257 - (2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside

ChEBI IDCHEBI:169257
ChEBI Name(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H30O9
Net Charge0
Average Mass366.407
Monoisotopic Mass366.18898
SMILESC=C(CCC(O)C(C)(C)O)C(CO)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C16H30O9/c1-8(4-5-11(19)16(2,3)23)9(6-17)24-15-14(22)13(21)12(20)10(7-18)25-15/h9-15,17-23H,1,4-7H2,2-3H3
InChIKeyYTJFEBUQZTULAC-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)
(2R,6x)-7-Methyl-3-methylene-1,2,6,7-octanetetrol 2-glucoside (CHEBI:169257) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-(hydroxymethyl)-6-(1,6,7-trihydroxy-7-methyl-3-methylideneoctan-2-yl)oxyoxane-3,4,5-triol
Manual XrefsDatabases
HMDB0033216HMDB