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Details

Stereochemistry ABSOLUTE
Molecular Formula C26H30O13
Molecular Weight 550.5086
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of LIQUIRITIN APIOSIDE

SMILES

[H][C@@]5(O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OC2=CC=C(C=C2)[C@@H]3CC(=O)C4=C(O3)C=C(O)C=C4)OC[C@](O)(CO)[C@H]5O

InChI

InChIKey=FTVKHUHJWDMWIR-DWMQJYMWSA-N
InChI=1S/C26H30O13/c27-9-19-20(31)21(32)22(39-25-23(33)26(34,10-28)11-35-25)24(38-19)36-14-4-1-12(2-5-14)17-8-16(30)15-6-3-13(29)7-18(15)37-17/h1-7,17,19-25,27-29,31-34H,8-11H2/t17-,19+,20+,21-,22+,23-,24+,25-,26+/m0/s1

HIDE SMILES / InChI

Molecular Formula C26H30O13
Molecular Weight 550.5086
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:01:10 UTC 2023
Edited
by admin
on Sat Dec 16 10:01:10 UTC 2023
Record UNII
8T57TH2CCD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
LIQUIRITIN APIOSIDE
INCI  
INCI  
Official Name English
4H-1-BENZOPYRAN-4-ONE, 2-(4-((2-O-D-APIO-.BETA.-D-FURANOSYL-.BETA.-D-GLUCOPYRANOSYL)OXY)PHENYL)-2,3-DIHYDRO-7-HYDROXY-, (2S)-
Systematic Name English
LIQUIRITIGENIN-4'-O-APIOSYL(1->2)GLUCOSIDE
Common Name English
LIQUIRITIN APIOSIDE [INCI]
Common Name English
LIQUIRITIGENIN 4'-O-APIOSYL-O-GLUCOSIDE
Common Name English
Code System Code Type Description
CAS
74639-14-8
Created by admin on Sat Dec 16 10:01:10 UTC 2023 , Edited by admin on Sat Dec 16 10:01:10 UTC 2023
PRIMARY
PUBCHEM
10076238
Created by admin on Sat Dec 16 10:01:10 UTC 2023 , Edited by admin on Sat Dec 16 10:01:10 UTC 2023
PRIMARY
FDA UNII
8T57TH2CCD
Created by admin on Sat Dec 16 10:01:10 UTC 2023 , Edited by admin on Sat Dec 16 10:01:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID20904894
Created by admin on Sat Dec 16 10:01:10 UTC 2023 , Edited by admin on Sat Dec 16 10:01:10 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT