Delphinidin 3-rutinoside cation

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31O16
Molecular Weight	611.5254
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure of Delphinidin 3-rutinoside cation

Structure Search

SMILES

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=PLKUTZNSKRWCCA-LTSKFBHWSA-O

InChI=1S/C27H30O16/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)/p+1/t8-,17+,18-,20+,21+,22-,23+,24+,26+,27+/m0/s1

HIDE SMILES / InChI

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 `Wed Apr 02 07:05:12 GMT 2025` Edited by `admin` on `Wed Apr 02 07:05:12 GMT 2025`
Record UNII	WC2BT4AG6E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Delphinidin 3-rutinoside cation

Common Name

English

(2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-3,4,5-trihydroxy-tetrahydropyran-2-yl]methoxy]-6-methyl-tetrahydropyran-3,4,5-triol

Preferred Name

English

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

Systematic Name

English

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

Systematic Name

English

Code System Code Type Description

FDA UNII

WC2BT4AG6E

Created by admin on Wed Apr 02 07:05:12 GMT 2025 , Edited by admin on Wed Apr 02 07:05:12 GMT 2025

PRIMARY

PUBCHEM

5492231

Created by admin on Wed Apr 02 07:05:12 GMT 2025 , Edited by admin on Wed Apr 02 07:05:12 GMT 2025

PRIMARY

CAS

58285-26-0

Created by admin on Wed Apr 02 07:05:12 GMT 2025 , Edited by admin on Wed Apr 02 07:05:12 GMT 2025

PRIMARY

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					WC2BT4AG6E

Delphinidin 3-rutinoside cation

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