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Details

Stereochemistry ABSOLUTE
Molecular Formula C21H21O12
Molecular Weight 465.3842
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of DELPHINIDIN 3-GALACTOSIDE CATION

SMILES

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

InChI

InChIKey=XENHPQQLDPAYIJ-YXRUOGEQSA-O
InChI=1S/C21H20O12/c22-6-15-17(28)18(29)19(30)21(33-15)32-14-5-9-10(24)3-8(23)4-13(9)31-20(14)7-1-11(25)16(27)12(26)2-7/h1-5,15,17-19,21-22,28-30H,6H2,(H4-,23,24,25,26,27)/p+1/t15-,17+,18+,19-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula C21H20O12
Molecular Weight 464.3763
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 11:14:00 GMT 2023
Edited
by admin
on Sat Dec 16 11:14:00 GMT 2023
Record UNII
3EKX6H5XWJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DELPHINIDIN 3-GALACTOSIDE CATION
Common Name English
1-BENZOPYRYLIUM, 3-(.BETA.-D-GALACTOPYRANOSYLOXY)-5,7-DIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-
Systematic Name English
DELPHINIDIN 3-O-.BETA.-D-GALACTOSIDE CATION
Common Name English
Code System Code Type Description
FDA UNII
3EKX6H5XWJ
Created by admin on Sat Dec 16 11:14:01 GMT 2023 , Edited by admin on Sat Dec 16 11:14:01 GMT 2023
PRIMARY
PUBCHEM
5316498
Created by admin on Sat Dec 16 11:14:01 GMT 2023 , Edited by admin on Sat Dec 16 11:14:01 GMT 2023
PRIMARY
CAS
197250-28-5
Created by admin on Sat Dec 16 11:14:01 GMT 2023 , Edited by admin on Sat Dec 16 11:14:01 GMT 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT