EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:166618 - Mesquitol-4beta-ol 3,8-dimethyl ether

ChEBI IDCHEBI:166618
ChEBI NameMesquitol-4beta-ol 3,8-dimethyl ether
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC17H18O7
Net Charge0
Average Mass334.324
Monoisotopic Mass334.10525
SMILESCOc1c(O)ccc2c1O[C@H](c1ccc(O)c(O)c1)[C@@H](OC)[C@H]2O
InChIInChI=1S/C17H18O7/c1-22-16-11(19)6-4-9-13(21)17(23-2)14(24-15(9)16)8-3-5-10(18)12(20)7-8/h3-7,13-14,17-21H,1-2H3/t13-,14+,17-/m0/s1
InChIKeySWCSSABAWPGWAQ-VBQJREDUSA-N
ChEBI Ontology
Outgoing Relation(s)
Mesquitol-4beta-ol 3,8-dimethyl ether (CHEBI:166618) is a leucoanthocyanidin (CHEBI:60835)
IUPAC Name 
(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,8-dimethoxy-3,4-dihydro-2H-chromene-4,7-diol
Manual XrefsDatabases
LMPK12020195LIPID MAPS
24842612ChemSpider