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Details

Stereochemistry ABSOLUTE
Molecular Formula C13H16O7
Molecular Weight 284.2619
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VACCINIIN

SMILES

O[C@@H]1O[C@H](COC(=O)C2=CC=CC=C2)[C@@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=MRDRXKCKIMVUHN-BZNQNGANSA-N
InChI=1S/C13H16O7/c14-9-8(20-13(18)11(16)10(9)15)6-19-12(17)7-4-2-1-3-5-7/h1-5,8-11,13-16,18H,6H2/t8-,9-,10+,11-,13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C13H16O7
Molecular Weight 284.2619
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 10:44:34 GMT 2023
Edited
by admin
on Sat Dec 16 10:44:34 GMT 2023
Record UNII
X76EOC769A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VACCINIIN
MI  
Common Name English
.BETA.-D-GLUCOPYRANOSE, 6-BENZOATE
Systematic Name English
6-BENZOYL-D-GLUCOSE
Systematic Name English
VACCINIIN [MI]
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID80877232
Created by admin on Sat Dec 16 10:44:34 GMT 2023 , Edited by admin on Sat Dec 16 10:44:34 GMT 2023
PRIMARY
CAS
90-75-5
Created by admin on Sat Dec 16 10:44:34 GMT 2023 , Edited by admin on Sat Dec 16 10:44:34 GMT 2023
PRIMARY
MERCK INDEX
m517
Created by admin on Sat Dec 16 10:44:34 GMT 2023 , Edited by admin on Sat Dec 16 10:44:34 GMT 2023
PRIMARY Merck Index
PUBCHEM
12444646
Created by admin on Sat Dec 16 10:44:34 GMT 2023 , Edited by admin on Sat Dec 16 10:44:34 GMT 2023
PRIMARY
FDA UNII
X76EOC769A
Created by admin on Sat Dec 16 10:44:34 GMT 2023 , Edited by admin on Sat Dec 16 10:44:34 GMT 2023
PRIMARY