CYANIDIN 3-XYLOSYL(FERULOYLGLUCOSYL)GALACTOSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C42H47O23
Molecular Weight	919.8088
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	1
Charge	1

SHOW SMILES / InChI

Structure of CYANIDIN 3-XYLOSYL(FERULOYLGLUCOSYL)GALACTOSIDE

Structure Search

SMILES

COC1=C(O)C=CC(\C=C\C(=O)OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](OC4=CC5=C(C=C(O)C=C5O)[O+]=C4C6=CC=C(O)C(O)=C6)[C@H](O[C@@H]7OC[C@@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)=C1

InChI

InChIKey=MUQNMJSHMPEZCV-JHCRVGSQSA-O

InChI=1S/C42H46O23/c1-57-26-8-16(2-5-21(26)45)3-7-30(49)58-14-28-32(51)34(53)37(56)40(63-28)60-15-29-33(52)35(54)39(65-41-36(55)31(50)24(48)13-59-41)42(64-29)62-27-12-19-22(46)10-18(43)11-25(19)61-38(27)17-4-6-20(44)23(47)9-17/h2-12,24,28-29,31-37,39-42,48,50-56H,13-15H2,1H3,(H4-,43,44,45,46,47,49)/p+1/t24-,28-,29-,31+,32-,33+,34+,35+,36-,37-,39-,40-,41+,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C42H46O23
Molecular Weight	918.8008
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 `Mon Mar 31 21:08:36 GMT 2025` Edited by `admin` on `Mon Mar 31 21:08:36 GMT 2025`
Record UNII	9O2Q20ZHT0
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CYANIDIN 3-XYLOSYL(FERULOYLGLUCOSYL)GALACTOSIDE

Common Name

English

1-BENZOPYRYLIUM, 2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-3-((O-6-O-((2E)-3-(4-HYDROXY-3-METHOXYPHENYL)-1-OXO-2-PROPEN-1-YL)-.BETA.-D-GLUCOPYRANOSYL-(1->6)-O-(.BETA.-D-XYLOPYRANOSYL-(1->2))-.BETA.-D-GALACTOPYRANOSYL)OXY)-

Preferred Name

English

Code System Code Type Description

CAS

142561-99-7

Created by admin on Mon Mar 31 21:08:36 GMT 2025 , Edited by admin on Mon Mar 31 21:08:36 GMT 2025

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EPA CompTox

DTXSID70162083

Created by admin on Mon Mar 31 21:08:36 GMT 2025 , Edited by admin on Mon Mar 31 21:08:36 GMT 2025

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PUBCHEM

56776253

Created by admin on Mon Mar 31 21:08:36 GMT 2025 , Edited by admin on Mon Mar 31 21:08:36 GMT 2025

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FDA UNII

9O2Q20ZHT0

Created by admin on Mon Mar 31 21:08:36 GMT 2025 , Edited by admin on Mon Mar 31 21:08:36 GMT 2025

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