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Details

Stereochemistry RACEMIC
Molecular Formula C16H14O8
Molecular Weight 334.2776
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(3,4-Dihydroxy-5-methoxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one, (2R,3R)-rel-

SMILES

COC1=CC(=CC(O)=C1O)[C@H]2OC3=CC(O)=CC(O)=C3C(=O)[C@@H]2O

InChI

InChIKey=MIEZPHMCERQLMT-JKSUJKDBSA-N
InChI=1S/C16H14O8/c1-23-11-3-6(2-9(19)13(11)20)16-15(22)14(21)12-8(18)4-7(17)5-10(12)24-16/h2-5,15-20,22H,1H3/t15-,16+/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H14O8
Molecular Weight 334.2776
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 17:38:37 GMT 2025
Edited
by admin
on Wed Apr 02 17:38:37 GMT 2025
Record UNII
E5D3BQ2LSF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4H-1-Benzopyran-4-one, 2-(3,4-dihydroxy-5-methoxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-, (2R,3R)-rel-
Preferred Name English
2-(3,4-Dihydroxy-5-methoxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one, (2R,3R)-rel-
Systematic Name English
rel-(2R,3R)-2-(3,4-Dihydroxy-5-methoxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-one
Systematic Name English
Code System Code Type Description
FDA UNII
E5D3BQ2LSF
Created by admin on Wed Apr 02 17:38:37 GMT 2025 , Edited by admin on Wed Apr 02 17:38:37 GMT 2025
PRIMARY
CAS
918314-34-8
Created by admin on Wed Apr 02 17:38:37 GMT 2025 , Edited by admin on Wed Apr 02 17:38:37 GMT 2025
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE