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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21O10.HO
Molecular Weight 450.3928
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FRAGARIN

SMILES

[OH-].OC[C@H]1O[C@@H](OC2=CC3=C(O)C=C(O)C=C3[O+]=C2C4=CC=C(O)C=C4)[C@H](O)[C@@H](O)[C@H]1O

InChI

InChIKey=VBTDDNNBANEIHF-QSLGVYCOSA-N
InChI=1S/C21H20O10.H2O/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9;/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25);1H2/t16-,17+,18+,19-,21-;/m1./s1

HIDE SMILES / InChI

Molecular Formula H2O
Molecular Weight 18.0153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C21H20O10
Molecular Weight 432.3775
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 Sat Dec 16 10:00:26 UTC 2023
Edited
by admin
on Sat Dec 16 10:00:26 UTC 2023
Record UNII
0416TL8388
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FRAGARIN
Common Name English
1-BENZOPYRYLIUM, 3-(D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-, HYDROXIDE (1:1)
Systematic Name English
1-BENZOPYRYLIUM, 3-(D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-, HYDROXIDE
Systematic Name English
Code System Code Type Description
FDA UNII
0416TL8388
Created by admin on Sat Dec 16 10:00:26 UTC 2023 , Edited by admin on Sat Dec 16 10:00:26 UTC 2023
PRIMARY
PUBCHEM
91617947
Created by admin on Sat Dec 16 10:00:26 UTC 2023 , Edited by admin on Sat Dec 16 10:00:26 UTC 2023
PRIMARY
DAILYMED
0416TL8388
Created by admin on Sat Dec 16 10:00:26 UTC 2023 , Edited by admin on Sat Dec 16 10:00:26 UTC 2023
PRIMARY
RXCUI
1739229
Created by admin on Sat Dec 16 10:00:26 UTC 2023 , Edited by admin on Sat Dec 16 10:00:26 UTC 2023
PRIMARY
CAS
574-57-2
Created by admin on Sat Dec 16 10:00:26 UTC 2023 , Edited by admin on Sat Dec 16 10:00:26 UTC 2023
PRIMARY