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Details

Stereochemistry ABSOLUTE
Molecular Formula C9H10O5
Molecular Weight 198.1727
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DANSHENSU

SMILES

O[C@H](CC1=CC=C(O)C(O)=C1)C(O)=O

InChI

InChIKey=PAFLSMZLRSPALU-MRVPVSSYSA-N
InChI=1S/C9H10O5/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)/t8-/m1/s1

HIDE SMILES / InChI

Molecular Formula C9H10O5
Molecular Weight 198.1727
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 09:05:16 UTC 2023
Edited
by admin
on Sat Dec 16 09:05:16 UTC 2023
Record UNII
4GF33A5PAJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DANSHENSU
Common Name English
BENZENEPROPANOIC ACID, .ALPHA.,3,4-TRIHYDROXY-, (.ALPHA.R)-
Systematic Name English
SALIANIC ACID A
Common Name English
DS-182
Code English
DAN SHEN SUAN A
Common Name English
SALVIANIC ACID A
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID60469215
Created by admin on Sat Dec 16 09:05:16 UTC 2023 , Edited by admin on Sat Dec 16 09:05:16 UTC 2023
PRIMARY
PUBCHEM
11600642
Created by admin on Sat Dec 16 09:05:16 UTC 2023 , Edited by admin on Sat Dec 16 09:05:16 UTC 2023
PRIMARY
FDA UNII
4GF33A5PAJ
Created by admin on Sat Dec 16 09:05:16 UTC 2023 , Edited by admin on Sat Dec 16 09:05:16 UTC 2023
PRIMARY
CAS
76822-21-4
Created by admin on Sat Dec 16 09:05:16 UTC 2023 , Edited by admin on Sat Dec 16 09:05:16 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT