CYANIDIN 3-XYLOSYL(SINAPOYLGLUCOSYL)GALACTOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C43H49O24
Molecular Weight	949.8348
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	1
Charge	1

SHOW SMILES / InChI

Structure of CYANIDIN 3-XYLOSYL(SINAPOYLGLUCOSYL)GALACTOSIDE

Structure Search

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(OC)=C(O)C(OC)=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=LWQKGKRDBZVYNE-DBWHLQOESA-O

InChI=1S/C43H48O24/c1-58-25-7-16(8-26(59-2)32(25)51)3-6-30(49)60-14-28-33(52)35(54)38(57)41(65-28)62-15-29-34(53)36(55)40(67-42-37(56)31(50)23(48)13-61-42)43(66-29)64-27-12-19-21(46)10-18(44)11-24(19)63-39(27)17-4-5-20(45)22(47)9-17/h3-12,23,28-29,31,33-38,40-43,48,50,52-57H,13-15H2,1-2H3,(H4-,44,45,46,47,49,51)/p+1/t23-,28-,29-,31+,33-,34+,35+,36+,37-,38-,40-,41-,42+,43-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C43H48O24
Molecular Weight	948.8268
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 02:10:00 GMT 2023` Edited by `admin` on `Sat Dec 16 02:10:00 GMT 2023`
Record UNII	8BT80M6D9Y
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYANIDIN 3-XYLOSYL(SINAPOYLGLUCOSYL)GALACTOSIDE

Common Name

English

1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-((O-6-O-((2E)-3-(4-HYDROXY-3,5-DIMETHOXYPHENYL)-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

FDA UNII

8BT80M6D9Y

Created by admin on Sat Dec 16 02:10:00 GMT 2023 , Edited by admin on Sat Dec 16 02:10:00 GMT 2023

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PUBCHEM

71587512

Created by admin on Sat Dec 16 02:10:00 GMT 2023 , Edited by admin on Sat Dec 16 02:10:00 GMT 2023

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CAS

142630-71-5

Created by admin on Sat Dec 16 02:10:00 GMT 2023 , Edited by admin on Sat Dec 16 02:10:00 GMT 2023

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EPA CompTox

DTXSID70162109

Created by admin on Sat Dec 16 02:10:00 GMT 2023 , Edited by admin on Sat Dec 16 02:10:00 GMT 2023

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