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

Details

Stereochemistry ABSOLUTE
Molecular Formula C15H16O9.2H2O
Molecular Weight 376.3127
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CICHORIIN DIHYDRATE

SMILES

O.O.OC[C@H]1O[C@@H](OC2=C(O)C=C3C=CC(=O)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=CFLAANMISLMCNS-CPOJNIPNSA-N
InChI=1S/C15H16O9.2H2O/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-4-8-6(3-7(9)17)1-2-11(18)22-8;;/h1-4,10,12-17,19-21H,5H2;2*1H2/t10-,12-,13+,14-,15-;;/m1../s1

HIDE SMILES / InChI

Approval Year

Name Type Language
CICHORIIN DIHYDRATE
Common Name English
2H-1-BENZOPYRAN-2-ONE, 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-6-HYDROXY-, DIHYDRATE
Common Name English
Code System Code Type Description
PUBCHEM
71587362
Created by admin on Sat Dec 16 06:22:48 UTC 2023 , Edited by admin on Sat Dec 16 06:22:48 UTC 2023
PRIMARY
FDA UNII
9SWX96E2C1
Created by admin on Sat Dec 16 06:22:48 UTC 2023 , Edited by admin on Sat Dec 16 06:22:48 UTC 2023
PRIMARY
CAS
95983-81-6
Created by admin on Sat Dec 16 06:22:48 UTC 2023 , Edited by admin on Sat Dec 16 06:22:48 UTC 2023
PRIMARY
EPA CompTox
DTXSID30242057
Created by admin on Sat Dec 16 06:22:48 UTC 2023 , Edited by admin on Sat Dec 16 06:22:48 UTC 2023
PRIMARY