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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H20O13
Molecular Weight 480.3757
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUERCETAGITRIN

SMILES

OC[C@H]1O[C@@H](OC2=C(O)C(O)=C3C(=O)C(O)=C(OC3=C2)C4=CC(O)=C(O)C=C4)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=IDTDRZPBDLMCLB-HSOQPIRZSA-N
InChI=1S/C21H20O13/c22-5-11-14(26)17(29)19(31)21(34-11)33-10-4-9-12(15(27)13(10)25)16(28)18(30)20(32-9)6-1-2-7(23)8(24)3-6/h1-4,11,14,17,19,21-27,29-31H,5H2/t11-,14-,17+,19-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H20O13
Molecular Weight 480.3757
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:34:35 GMT 2023
Edited
by admin
on Sat Dec 16 07:34:35 GMT 2023
Record UNII
4DX1W79Z8Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUERCETAGITRIN
Common Name English
QUERCETAGETIN 7-D-GLUCOSIDE
Common Name English
QUERCETAGETIN 7-O-GLUCOSIDE
Common Name English
4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-7-(.BETA.-D-GLUCOPYRANOSYLOXY)-3,5,6-TRIHYDROXY-
Common Name English
QUERCETAGETIN 7-GLUCOSIDE [MI]
Common Name English
QUERCETAGETIN 7-O-.BETA.-D-GLUCOSIDE
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID30970146
Created by admin on Sat Dec 16 07:34:36 GMT 2023 , Edited by admin on Sat Dec 16 07:34:36 GMT 2023
PRIMARY
PUBCHEM
5320826
Created by admin on Sat Dec 16 07:34:36 GMT 2023 , Edited by admin on Sat Dec 16 07:34:36 GMT 2023
PRIMARY
FDA UNII
4DX1W79Z8Y
Created by admin on Sat Dec 16 07:34:36 GMT 2023 , Edited by admin on Sat Dec 16 07:34:36 GMT 2023
PRIMARY
CAS
548-75-4
Created by admin on Sat Dec 16 07:34:36 GMT 2023 , Edited by admin on Sat Dec 16 07:34:36 GMT 2023
PRIMARY
MERCK INDEX
m9419
Created by admin on Sat Dec 16 07:34:36 GMT 2023 , Edited by admin on Sat Dec 16 07:34:36 GMT 2023
PRIMARY Merck Index