Delphinidin 3-rutinoside

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31O16.Cl
Molecular Weight	646.978
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=CC4=C(C=C(O)C=C4O)[O+]=C3C5=CC(O)=C(O)C(O)=C5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O

InChI

InChIKey=ZOQQFMKYEOHRMC-KFOCXKDFSA-N

InChI=1S/C27H30O16.ClH/c1-8-18(32)21(35)23(37)26(40-8)39-7-17-20(34)22(36)24(38)27(43-17)42-16-6-11-12(29)4-10(28)5-15(11)41-25(16)9-2-13(30)19(33)14(31)3-9;/h2-6,8,17-18,20-24,26-27,32,34-38H,7H2,1H3,(H4-,28,29,30,31,33);1H/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+;/m0./s1

HIDE SMILES / InChI

Molecular Formula	Cl
Molecular Weight	35.453
Charge	-1
Count

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

Molecular Formula	C27H31O16
Molecular Weight	611.5254
Charge	1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	10 / 10
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 19:14:10 GMT 2025` Edited by `admin` on `Mon Mar 31 19:14:10 GMT 2025`
Record UNII	6I4SV29842
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-O-Rutinosyldelphinidin

Preferred Name

English

Delphinidin 3-rutinoside

Common Name

English

1-Benzopyrylium, 3-[[6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride (1:1)

Systematic Name

English

3?,4?,5,5?,7-Pentahydroxy-3-[(6-O-?-L-rhamnosyl-?-D-glucosyl)oxy]flavylium chloride

Systematic Name

English

Flavylium, 3-[[6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy]-3?,4?,5,5?,7-pentahydroxy-, chloride

Systematic Name

English

1-Benzopyrylium, 3-[[6-O-(6-deoxy-?-L-mannopyranosyl)-?-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-, chloride

Systematic Name

English

Tulipanin

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID80935523