EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:108585 - (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-ol

ChEBI IDCHEBI:108585
ChEBI Name(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-ol
Stars
DownloadsMolfile
FormulaC19H21IO6
Net Charge0
Average Mass472.275
Monoisotopic Mass472.03829
SMILESCOc1ccc([C@H]2Oc3c(I)c(OC)cc(OC)c3C[C@@H]2O)cc1OC
InChIInChI=1S/C19H21IO6/c1-22-13-6-5-10(7-15(13)24-3)18-12(21)8-11-14(23-2)9-16(25-4)17(20)19(11)26-18/h5-7,9,12,18,21H,8H2,1-4H3/t12-,18+/m0/s1
InChIKeyVTUMIISWLFIURS-KPZWWZAWSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-ol (CHEBI:108585) is a catechin (CHEBI:23053)
Manual XrefsDatabases
LSM-19961LINCS