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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10O7S
Molecular Weight 274.247
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of Ferulic acid 4-O-sulfate

SMILES

COC1=C(OS(O)(=O)=O)C=CC(\C=C\C(O)=O)=C1

InChI

InChIKey=PZPATWACAAOHTJ-HWKANZROSA-N
InChI=1S/C10H10O7S/c1-16-9-6-7(3-5-10(11)12)2-4-8(9)17-18(13,14)15/h2-6H,1H3,(H,11,12)(H,13,14,15)/b5-3+

HIDE SMILES / InChI

Molecular Formula C10H10O7S
Molecular Weight 274.247
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 16:32:16 UTC 2023
Edited
by admin
on Sat Dec 16 16:32:16 UTC 2023
Record UNII
YDV7C77DVB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ferulic acid 4-O-sulfate
Common Name English
(E)-3-(3-methoxy-4-sulfooxyphenyl)prop-2-enoicacid
Systematic Name English
2-Propenoic acid, 3-[3-methoxy-4-(sulfooxy)phenyl]-
Systematic Name English
(2E)-3-[3-Methoxy-4-(sulfooxy)phenyl]-2-propenoic acid
Systematic Name English
Ferulic acid 4-sulfate
Common Name English
3-[3-Methoxy-4-(sulfooxy)phenyl]-2-propenoic acid
Systematic Name English
2-Propenoic acid, 3-[3-methoxy-4-(sulfooxy)phenyl]-, (2E)-
Systematic Name English
3-(3-methoxy-4-sulfooxy-phenyl)prop-2-enoic acid
Systematic Name English
Ferulic acid-4′-sulfate
Common Name English
Code System Code Type Description
CAS
151481-53-7
Created by admin on Sat Dec 16 16:32:16 UTC 2023 , Edited by admin on Sat Dec 16 16:32:16 UTC 2023
ALTERNATIVE
CAS
86321-29-1
Created by admin on Sat Dec 16 16:32:16 UTC 2023 , Edited by admin on Sat Dec 16 16:32:16 UTC 2023
PRIMARY
FDA UNII
YDV7C77DVB
Created by admin on Sat Dec 16 16:32:16 UTC 2023 , Edited by admin on Sat Dec 16 16:32:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID601313214
Created by admin on Sat Dec 16 16:32:16 UTC 2023 , Edited by admin on Sat Dec 16 16:32:16 UTC 2023
PRIMARY
PUBCHEM
6305574
Created by admin on Sat Dec 16 16:32:16 UTC 2023 , Edited by admin on Sat Dec 16 16:32:16 UTC 2023
PRIMARY