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Details

Stereochemistry ACHIRAL
Molecular Formula C15H10O8.2H2O
Molecular Weight 354.2657
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUERCETAGETIN DIHYDRATE

SMILES

O.O.OC1=C(O)C=C(C=C1)C2=C(O)C(=O)C3=C(O)C(O)=C(O)C=C3O2

InChI

InChIKey=PGHJCMBXWXXCBQ-UHFFFAOYSA-N
InChI=1S/C15H10O8.2H2O/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20;;/h1-4,16-20,22H;2*1H2

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H10O8
Molecular Weight 318.2351
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 Sat Dec 16 05:10:10 UTC 2023
Edited
by admin
on Sat Dec 16 05:10:10 UTC 2023
Record UNII
JTG0T7Z6SP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUERCETAGETIN DIHYDRATE
MI  
Common Name English
2-(3,4-DIHYDROXYPHENYL)-3,5,6,7-TETRAHYDROXY-4H-1-BENZOPYRAN-4-ONE DIHYDRATE
Systematic Name English
QUERCETAGETIN DIHYDRATE [MI]
Common Name English
Code System Code Type Description
MERCK INDEX
m9419
Created by admin on Sat Dec 16 05:10:10 UTC 2023 , Edited by admin on Sat Dec 16 05:10:10 UTC 2023
PRIMARY Merck Index
FDA UNII
JTG0T7Z6SP
Created by admin on Sat Dec 16 05:10:10 UTC 2023 , Edited by admin on Sat Dec 16 05:10:10 UTC 2023
PRIMARY
PUBCHEM
76969819
Created by admin on Sat Dec 16 05:10:10 UTC 2023 , Edited by admin on Sat Dec 16 05:10:10 UTC 2023
PRIMARY
Related Record Type Details
ANHYDROUS->SOLVATE
Related Record Type Details
ACTIVE MOIETY