U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H12O5
Molecular Weight 272.2528
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BUTIN

SMILES

OC1=CC=C2C(=O)C[C@H](OC2=C1)C3=CC(O)=C(O)C=C3

InChI

InChIKey=MJBPUQUGJNAPAZ-AWEZNQCLSA-N
InChI=1S/C15H12O5/c16-9-2-3-10-12(18)7-14(20-15(10)6-9)8-1-4-11(17)13(19)5-8/h1-6,14,16-17,19H,7H2/t14-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
BUTIN
Common Name English
(S)-7,3',4'-TRIHYDROXYFLAVANONE
Systematic Name English
(-)-BUTIN
Common Name English
7,3',4'-TRIHYDROXYFLAVANONE
Systematic Name English
(2S)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-4H-1-BENZOPYRAN-4-ONE
Systematic Name English
FLAVANONE, 3',4',7-TRIHYDROXY-
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-, (2S)-
Systematic Name English
4H-1-BENZOPYRAN-4-ONE, 2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-7-HYDROXY-, (S)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60197708
Created by admin on Sat Dec 16 08:38:42 GMT 2023 , Edited by admin on Sat Dec 16 08:38:42 GMT 2023
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CAS
492-14-8
Created by admin on Sat Dec 16 08:38:42 GMT 2023 , Edited by admin on Sat Dec 16 08:38:42 GMT 2023
PRIMARY
PUBCHEM
92775
Created by admin on Sat Dec 16 08:38:42 GMT 2023 , Edited by admin on Sat Dec 16 08:38:42 GMT 2023
PRIMARY
FDA UNII
S23T8BI9DD
Created by admin on Sat Dec 16 08:38:42 GMT 2023 , Edited by admin on Sat Dec 16 08:38:42 GMT 2023
PRIMARY
CHEBI
27725
Created by admin on Sat Dec 16 08:38:42 GMT 2023 , Edited by admin on Sat Dec 16 08:38:42 GMT 2023
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WIKIPEDIA
Butin (molecule)
Created by admin on Sat Dec 16 08:38:42 GMT 2023 , Edited by admin on Sat Dec 16 08:38:42 GMT 2023
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