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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H12O7S
Molecular Weight 288.274
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (-)-5-(3',5'-DIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-SULFATE

SMILES

OC1=CC(C[C@H]2CCC(=O)O2)=CC(OS(O)(=O)=O)=C1

InChI

InChIKey=CVGUPVHDNVLHLW-SECBINFHSA-N
InChI=1S/C11H12O7S/c12-8-3-7(4-9-1-2-11(13)17-9)5-10(6-8)18-19(14,15)16/h3,5-6,9,12H,1-2,4H2,(H,14,15,16)/t9-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H12O7S
Molecular Weight 288.274
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:17:21 GMT 2023
Edited
by admin
on Sat Dec 16 18:17:21 GMT 2023
Record UNII
4DS3RP3H4G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(-)-5-(3',5'-DIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-SULFATE
Common Name English
5-(3',5'-DIHYDROXYPHENYL)-.GAMMA.-VALEROLACTONE-3'-O-SULFATE
Common Name English
2(3H)-FURANONE, DIHYDRO-5-((3-HYDROXY-5-(SULFOOXY)PHENYL)METHYL)-, (5R)-
Systematic Name English
(R)-3-HYDROXY-5-((5-OXOTETRAHYDROFURAN-2-YL)METHYL)PHENYL HYDROGEN SULFATE
Systematic Name English
Code System Code Type Description
CAS
1038922-85-8
Created by admin on Sat Dec 16 18:17:22 GMT 2023 , Edited by admin on Sat Dec 16 18:17:22 GMT 2023
PRIMARY
FDA UNII
4DS3RP3H4G
Created by admin on Sat Dec 16 18:17:22 GMT 2023 , Edited by admin on Sat Dec 16 18:17:22 GMT 2023
PRIMARY
PUBCHEM
140285614
Created by admin on Sat Dec 16 18:17:22 GMT 2023 , Edited by admin on Sat Dec 16 18:17:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE