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Details

Stereochemistry ABSOLUTE
Molecular Formula C41H45O22
Molecular Weight 889.7828
Optical Activity UNSPECIFIED
Defined Stereocenters 14 / 14
E/Z Centers 1
Charge 1

SHOW SMILES / InChI
Structure of CYANIDIN 3-XYLOSYL(COUMAROYLGLUCOSYL)GALACTOSIDE

SMILES

[H][C@@]7(O[C@H]1[C@H](OC2=CC3=C(C=C(O)C=C3O)[O+]=C2C4=CC(O)=C(O)C=C4)O[C@H](CO[C@@H]5O[C@H](COC(=O)\C=C\C6=CC=C(O)C=C6)[C@@H](O)[C@H](O)[C@H]5O)[C@H](O)[C@@H]1O)OC[C@@H](O)[C@H](O)[C@H]7O

InChI

InChIKey=AVYXHYMPVRRQIG-AHMSEWCKSA-O
InChI=1S/C41H44O22/c42-18-5-1-16(2-6-18)3-8-29(48)56-14-27-31(50)33(52)36(55)39(61-27)58-15-28-32(51)34(53)38(63-40-35(54)30(49)24(47)13-57-40)41(62-28)60-26-12-20-22(45)10-19(43)11-25(20)59-37(26)17-4-7-21(44)23(46)9-17/h1-12,24,27-28,30-36,38-41,47,49-55H,13-15H2,(H4-,42,43,44,45,46,48)/p+1/t24-,27-,28-,30+,31-,32+,33+,34+,35-,36-,38-,39-,40+,41-/m1/s1

HIDE SMILES / InChI

Molecular Formula C41H44O22
Molecular Weight 888.7749
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 14 / 14
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 02:15:33 GMT 2023
Edited
by admin
on Sat Dec 16 02:15:33 GMT 2023
Record UNII
WV5L7Y47SP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYANIDIN 3-XYLOSYL(COUMAROYLGLUCOSYL)GALACTOSIDE
Common Name English
1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-((O-6-O-((2E)-3-(4-HYDROXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL-(1->6)-O-(.BETA.-D-XYLOPYRANOSYL-(1->2))-.BETA.-D-GALACTOPYRANOSYL)OXY)-
Common Name English
Code System Code Type Description
PUBCHEM
70698351
Created by admin on Sat Dec 16 02:15:33 GMT 2023 , Edited by admin on Sat Dec 16 02:15:33 GMT 2023
PRIMARY
CAS
142506-21-6
Created by admin on Sat Dec 16 02:15:33 GMT 2023 , Edited by admin on Sat Dec 16 02:15:33 GMT 2023
PRIMARY
FDA UNII
WV5L7Y47SP
Created by admin on Sat Dec 16 02:15:33 GMT 2023 , Edited by admin on Sat Dec 16 02:15:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID10162067
Created by admin on Sat Dec 16 02:15:33 GMT 2023 , Edited by admin on Sat Dec 16 02:15:33 GMT 2023
PRIMARY