Peonidin 3-O-?-D-glucoside

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H23O11
Molecular Weight	463.4114
Optical Activity	( - )
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=ZZWPMFROUHHAKY-OUUKCGNVSA-O

InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H23O11
Molecular Weight	463.4114
Charge	1
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 `Wed Apr 02 08:10:06 GMT 2025` Edited by `admin` on `Wed Apr 02 08:10:06 GMT 2025`
Record UNII	D5ZBS8SDA7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Peonidin 3-O-?-D-glucoside

Common Name

English

(2S,3S,4R,5S,6R)-2-(HYDROXYMETHYL)-6-(2-(3-METHOXY-4-OXIDANYL-PHENYL)-5,7-BIS(OXIDANYL)CHROMENYLIUM-3-YL)OXY-OXANE-3,4,5-TRIOL

Preferred Name

English

Peonidin 3-?-D-glucoside

Common Name

English

5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1?4-benzopyran-1-ylium

Systematic Name

English

3-(?-D-Glucopyranosyloxy)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium

Systematic Name

English

Code System Code Type Description

PUBCHEM

443654