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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12O7
Molecular Weight 316.2623
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PEDALITIN

SMILES

COC1=CC2=C(C(=O)C=C(O2)C3=CC=C(O)C(O)=C3)C(O)=C1O

InChI

InChIKey=QWUHUBDKQQPMQG-UHFFFAOYSA-N
InChI=1S/C16H12O7/c1-22-13-6-12-14(16(21)15(13)20)10(19)5-11(23-12)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3

HIDE SMILES / InChI

Molecular Formula C16H12O7
Molecular Weight 316.2623
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Mon Mar 31 22:10:17 GMT 2025
Edited
by admin
on Mon Mar 31 22:10:17 GMT 2025
Record UNII
DS9S9Z36F2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(3,4-DIHYDROXYPHENYL)-5,6-DIHYDROXY-7-METHOXY-4H-1-BENZOPYRAN-4-ONE
Preferred Name English
PEDALITIN
Common Name English
5,6,3',4'-TETRAHYDROXY-7-METHOXYFLAVONE
Systematic Name English
3',4',5,6-TETRAHYDROXY-7-METHOXYFLAVONE
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-5,6-DIHYDROXY-7-METHOXY-
Systematic Name English
6-HYDROXYLUTEOLIN-7-METHYL ETHER
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40176915
Created by admin on Mon Mar 31 22:10:17 GMT 2025 , Edited by admin on Mon Mar 31 22:10:17 GMT 2025
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FDA UNII
DS9S9Z36F2
Created by admin on Mon Mar 31 22:10:17 GMT 2025 , Edited by admin on Mon Mar 31 22:10:17 GMT 2025
PRIMARY
CAS
22384-63-0
Created by admin on Mon Mar 31 22:10:17 GMT 2025 , Edited by admin on Mon Mar 31 22:10:17 GMT 2025
PRIMARY
CHEBI
7947
Created by admin on Mon Mar 31 22:10:17 GMT 2025 , Edited by admin on Mon Mar 31 22:10:17 GMT 2025
PRIMARY
PUBCHEM
31161
Created by admin on Mon Mar 31 22:10:17 GMT 2025 , Edited by admin on Mon Mar 31 22:10:17 GMT 2025
PRIMARY