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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-1-benzopyran-3-ol
ChEBI ID CHEBI:108585
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C19H21IO6
Net Charge 0
Average Mass 472.272
Monoisotopic Mass 472.03828
InChI InChI=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
InChIKey VTUMIISWLFIURS-KPZWWZAWSA-N
SMILES COC1=C(C=C(C=C1)[C@@H]2[C@H](CC3=C(O2)C(=C(C=C3OC)OC)I)O)OC
ChEBI Ontology
Outgoing (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 Xref Database
LSM-19961 LINCS
View more database links