PETUNIDIN 3-GALACTOSIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H23O12.Cl
Molecular Weight	514.864
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].COC1=CC(=CC(O)=C1O)C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O

InChI

InChIKey=HBKZHMZCXXQMOX-PKHNGRKTSA-N

InChI=1S/C22H22O12.ClH/c1-31-14-3-8(2-12(26)17(14)27)21-15(6-10-11(25)4-9(24)5-13(10)32-21)33-22-20(30)19(29)18(28)16(7-23)34-22;/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27);1H/t16-,18+,19+,20-,22-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C22H22O12
Molecular Weight	478.4029
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 `Mon Mar 31 21:47:26 GMT 2025` Edited by `admin` on `Mon Mar 31 21:47:26 GMT 2025`
Record UNII	6CZ3BJ31ZH
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PETUNIDIN-3-O-GALACTOSIDE

Preferred Name

English

PETUNIDIN 3-GALACTOSIDE

Common Name

English

Code System Code Type Description

FDA UNII

6CZ3BJ31ZH

Created by admin on Mon Mar 31 21:47:26 GMT 2025 , Edited by admin on Mon Mar 31 21:47:26 GMT 2025

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CAS

28500-02-9

Created by admin on Mon Mar 31 21:47:26 GMT 2025 , Edited by admin on Mon Mar 31 21:47:26 GMT 2025

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PUBCHEM

102004819

Created by admin on Mon Mar 31 21:47:26 GMT 2025 , Edited by admin on Mon Mar 31 21:47:26 GMT 2025

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