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Details

Stereochemistry RACEMIC
Molecular Formula C15H12O6
Molecular Weight 288.2522
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of THUNBERGINOL D

SMILES

OC1=CC2=C(C(=O)OC(C2)C3=CC=C(O)C(O)=C3)C(O)=C1

InChI

InChIKey=NNFSGOSBNORREV-UHFFFAOYSA-N
InChI=1S/C15H12O6/c16-9-3-8-5-13(7-1-2-10(17)11(18)4-7)21-15(20)14(8)12(19)6-9/h1-4,6,13,16-19H,5H2

HIDE SMILES / InChI

Molecular Formula C15H12O6
Molecular Weight 288.2522
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:57:36 GMT 2023
Edited
by admin
on Sat Dec 16 16:57:36 GMT 2023
Record UNII
JJX5KK3ZKU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
THUNBERGINOL D
Common Name English
3-(3,4-DIHYDROXYPHENYL)-6,8-DIHYDROXY-3,4-DIHYDROISOCHROMEN-1-ONE
Systematic Name English
1H-2-BENZOPYRAN-1-ONE, 3-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-6,8-DIHYDROXY-
Systematic Name English
1H-2-BENZOPYRAN-1-ONE, 3-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-6,8-DIHYDROXY-, (±)-
Systematic Name English
3-(3,4-DIHYDROXYPHENYL)-3,4-DIHYDRO-6,8-DIHYDROXY-1H-2-BENZOPYRAN-1-ONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID50933137
Created by admin on Sat Dec 16 16:57:36 GMT 2023 , Edited by admin on Sat Dec 16 16:57:36 GMT 2023
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FDA UNII
JJX5KK3ZKU
Created by admin on Sat Dec 16 16:57:36 GMT 2023 , Edited by admin on Sat Dec 16 16:57:36 GMT 2023
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WIKIPEDIA
Thunberginol D
Created by admin on Sat Dec 16 16:57:36 GMT 2023 , Edited by admin on Sat Dec 16 16:57:36 GMT 2023
PRIMARY
CAS
147517-07-5
Created by admin on Sat Dec 16 16:57:36 GMT 2023 , Edited by admin on Sat Dec 16 16:57:36 GMT 2023
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PUBCHEM
188928
Created by admin on Sat Dec 16 16:57:36 GMT 2023 , Edited by admin on Sat Dec 16 16:57:36 GMT 2023
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