PETUNIDIN 3-ARABINOSIDE CATION

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H21O11
Molecular Weight	449.3848
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of PETUNIDIN 3-ARABINOSIDE CATION

Structure Search

SMILES

COC1=CC(=CC(O)=C1O)C2=[O+]C3=CC(O)=CC(O)=C3C=C2O[C@@H]4OC[C@H](O)[C@H](O)[C@H]4O

InChI

InChIKey=XYWFSSFJPFAYCA-KZCJGOGDSA-O

InChI=1S/C21H20O11/c1-29-15-3-8(2-12(24)17(15)26)20-16(32-21-19(28)18(27)13(25)7-30-21)6-10-11(23)4-9(22)5-14(10)31-20/h2-6,13,18-19,21,25,27-28H,7H2,1H3,(H3-,22,23,24,26)/p+1/t13-,18-,19+,21-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C21H20O11
Molecular Weight	448.3769
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:30:25 GMT 2025` Edited by `admin` on `Mon Mar 31 23:30:25 GMT 2025`
Record UNII	883V52542W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PETUNIDIN 3-ARABINOSIDE CATION

Common Name

English

PETUNIDIN-3-O-ARABINOSIDE CATION

Preferred Name

English

1-BENZOPYRYLIUM, 3-(.ALPHA.-L-ARABINOPYRANOSYLOXY)-2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-5,7-DIHYDROXY-

Systematic Name

English

1-BENZOPYRYLIUM, 3-(ARABINOSYLOXY)-2-(3,4-DIHYDROXY-5-METHOXYPHENYL)-5,7-DIHYDROXY-

Systematic Name

English

Code System Code Type Description

PUBCHEM

6325802

Created by admin on Mon Mar 31 23:30:25 GMT 2025 , Edited by admin on Mon Mar 31 23:30:25 GMT 2025

PRIMARY

FDA UNII

883V52542W

Created by admin on Mon Mar 31 23:30:25 GMT 2025 , Edited by admin on Mon Mar 31 23:30:25 GMT 2025

PRIMARY

CAS

749848-37-1

Created by admin on Mon Mar 31 23:30:25 GMT 2025 , Edited by admin on Mon Mar 31 23:30:25 GMT 2025

PRIMARY

CAS

791719-63-6

Created by admin on Mon Mar 31 23:30:25 GMT 2025 , Edited by admin on Mon Mar 31 23:30:25 GMT 2025

NON-SPECIFIC SUBSTITUTION