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CHEBI:197258 - 1-(O-alpha-D-glucopyranosyl)-27-keto-(1,3R,29R)-triacontanetriol

ChEBI IDCHEBI:197258
ChEBI Name1-(O-alpha-D-glucopyranosyl)-27-keto-(1,3R,29R)-triacontanetriol
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H70O9
Net Charge0
Average Mass646.947
Monoisotopic Mass646.50198
SMILESC[C@@H](O)CC(=O)CCCCCCCCCCCCCCCCCCCCCCC[C@@H](O)CCO[C@H]1OC(CO)[C@@H](O)C(O)[C@@H]1O
InChIInChI=1S/C36H70O9/c1-29(38)27-31(40)24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-30(39)25-26-44-36-35(43)34(42)33(41)32(28-37)45-36/h29-30,32-39,41-43H,2-28H2,1H3/t29-,30-,32?,33-,34?,35+,36+/m1/s1
InChIKeyFLTYZENFEZKFQJ-FKZAWVABSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
1-(O-alpha-D-glucopyranosyl)-27-keto-(1,3R,29R)-triacontanetriol (CHEBI:197258) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2R,28R)-2,28-dihydroxy-30-[(2S,3S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxytriacontan-4-one
Manual XrefsDatabases
LMFA13010029LIPID MAPS
24822138ChemSpider