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CHEBI:189463 - 2-(hydroxymethyl)-6-[(e)-4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yl]oxyoxane-3,4,5-triol

Default Structure
ChEBI IDCHEBI:189463
ChEBI Name2-(hydroxymethyl)-6-[(e)-4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yl]oxyoxane-3,4,5-triol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H34O9
Net Charge0
Average Mass406.472
Monoisotopic Mass406.22028
SMILESCC(/C=C/C1(O)C(C)(C)CC(O)CC1(C)O)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C19H34O9/c1-10(27-16-15(24)14(23)13(22)12(9-20)28-16)5-6-19(26)17(2,3)7-11(21)8-18(19,4)25/h5-6,10-16,20-26H,7-9H2,1-4H3/b6-5+
InChIKeyXZRJEYQBLXDNNU-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Oryza sativa (ncbitaxon:4530) leaf sheath (BTO:0005094) MetaboLights (MTBLS3518)
ChEBI Ontology
Outgoing Relation(s)
2-(hydroxymethyl)-6-[(e)-4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yl]oxyoxane-3,4,5-triol (CHEBI:189463) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
2-(hydroxymethyl)-6-[(E)-4-(1,2,4-trihydroxy-2,6,6-trimethylcyclohexyl)but-3-en-2-yl]oxyoxane-3,4,5-triol