EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:168356 - Ptelatoside B

ChEBI IDCHEBI:168356
ChEBI NamePtelatoside B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H28O10
Net Charge0
Average Mass428.434
Monoisotopic Mass428.16825
SMILESC=Cc1ccc(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)cc1
InChIInChI=1S/C20H28O10/c1-3-10-4-6-11(7-5-10)28-20-18(16(25)14(23)12(8-21)29-20)30-19-17(26)15(24)13(22)9(2)27-19/h3-7,9,12-26H,1,8H2,2H3
InChIKeyDIBOBJSTTKLQQV-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)
Ptelatoside B (CHEBI:168356) is a glycoside (CHEBI:24400)
IUPAC Name 
2-[2-(4-ethenylphenoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-methyloxane-3,4,5-triol
Manual XrefsDatabases
26502781ChemSpider
HMDB0034447HMDB