KERACYANIN CATION

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H31O15
Molecular Weight	595.526
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	1

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C([O+]=C4C=C(O)C=C(O)C4=C3)C5=CC=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=USNPULRDBDVJAO-FXCAAIILSA-O

InChI=1S/C27H30O15/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31)/p+1/t9-,18+,19-,20+,21+,22-,23+,24+,26+,27+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C27H30O15
Molecular Weight	594.5181
Charge	0
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 `Sat Dec 16 11:04:45 UTC 2023` Edited by `admin` on `Sat Dec 16 11:04:45 UTC 2023`
Record UNII	OR49FC491X
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

KERACYANIN CATION

Common Name

English

CYANIDIN-3-RUTINOSIDE

Common Name

English

CYANIDIN 3-.BETA.-D-O-RUTINOSIDE

Systematic Name

English

1-BENZOPYRYLIUM, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-

Systematic Name

English

CYANIDIN 3-O-RUTINOSIDE

Systematic Name

English

KERACYANIN ION

Common Name

English

FLAVYLIUM, 3-((6-O-(6-DEOXY-.ALPHA.-L-MANNOPYRANOSYL)-.BETA.-D-GLUCOPYRANOSYL)OXY)-3',4',5,7-TETRAHYDROXY-

Systematic Name

English

Code System Code Type Description

CAS

259813-55-3