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Details

Stereochemistry ABSOLUTE
Molecular Formula C22H22O11
Molecular Weight 462.4043
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SCOPARIN

SMILES

COc1cc(ccc1O)-c2cc(=O)c3c(cc(c(c3o2)[C@@]4([H])[C@@]([H])([C@]([H])([C@@]([H])([C@@]([H])(CO)O4)O)O)O)O)O

InChI

InChIKey=YXHFXGHAELQJGK-PGPONNFDSA-N
InChI=1S/C22H22O11/c1-31-14-4-8(2-3-9(14)24)13-6-12(27)16-10(25)5-11(26)17(21(16)32-13)22-20(30)19(29)18(28)15(7-23)33-22/h2-6,15,18-20,22-26,28-30H,7H2,1H3/t15-,18-,19+,20-,22+/m1/s1

HIDE SMILES / InChI

Molecular Formula C22H22O11
Molecular Weight 462.4043
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 23:08:01 UTC 2021
Edited
by admin
on Fri Jun 25 23:08:01 UTC 2021
Record UNII
DR3Y9P779Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SCOPARIN
MI  
Common Name English
4H-1-BENZOPYRAN-4-ONE, 8-.BETA.-D-GLUCOPYRANOSYL-5,7-DIHYDROXY-2-(4-HYDROXY-3-METHOXYPHENYL)-
Common Name English
8-C-.BETA.-D-GLUCOPYRANOSYLCHRYSOERIOL
Common Name English
CHRYSOERIOL 8-C-GLUCOSIDE
Common Name English
NSC-167408
Code English
SCOPAROSIDE
Common Name English
SCOPARIN [MI]
Common Name English
SCOPARINE
Common Name English
Code System Code Type Description
PUBCHEM
20055255
Created by admin on Fri Jun 25 23:08:01 UTC 2021 , Edited by admin on Fri Jun 25 23:08:01 UTC 2021
PRIMARY
CAS
301-16-6
Created by admin on Fri Jun 25 23:08:01 UTC 2021 , Edited by admin on Fri Jun 25 23:08:01 UTC 2021
PRIMARY
MERCK INDEX
M9809
Created by admin on Fri Jun 25 23:08:01 UTC 2021 , Edited by admin on Fri Jun 25 23:08:01 UTC 2021
PRIMARY Merck Index
FDA UNII
DR3Y9P779Q
Created by admin on Fri Jun 25 23:08:01 UTC 2021 , Edited by admin on Fri Jun 25 23:08:01 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> CONSTITUENT ALWAYS PRESENT