EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167775 - Dihydroroseoside

ChEBI IDCHEBI:167775
ChEBI NameDihydroroseoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H32O8
Net Charge0
Average Mass388.457
Monoisotopic Mass388.20972
SMILESCC(/C=C/C1(O)C(C)CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O
InChIInChI=1S/C19H32O8/c1-10-7-12(21)8-18(3,4)19(10,25)6-5-11(2)26-17-16(24)15(23)14(22)13(9-20)27-17/h5-6,10-11,13-17,20,22-25H,7-9H2,1-4H3/b6-5+
InChIKeyQFTPTUOKFIIFJH-AATRIKPKSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood serum (BTO:0000133) MetaboLights (MTBLS2542)
ChEBI Ontology
Outgoing Relation(s)
Dihydroroseoside (CHEBI:167775) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
4-hydroxy-3,3,5-trimethyl-4-[(E)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohexan-1-one
Manual XrefsDatabases
HMDB0040614HMDB
17325508ChemSpider