MECOCYANIN

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

InChI

InChIKey=JTBKLSOMWLPIPN-DHJOXOLYSA-N

InChI=1S/C27H30O16.ClH/c28-7-17-19(33)21(35)23(37)26(42-17)39-8-18-20(34)22(36)24(38)27(43-18)41-16-6-11-13(31)4-10(29)5-15(11)40-25(16)9-1-2-12(30)14(32)3-9;/h1-6,17-24,26-28,33-38H,7-8H2,(H3-,29,30,31,32);1H/t17-,18-,19-,20-,21+,22+,23-,24-,26-,27-;/m1./s1

HIDE SMILES / InChI

Molecular Formula	C27H30O16
Molecular Weight	610.5175
Charge	0
Count

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

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:40:45 GMT 2025` Edited by `admin` on `Mon Mar 31 21:40:45 GMT 2025`
Record UNII	IM48Q4GY6U
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MECOCYANIN

Common Name

English

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

Preferred Name

English

MECOCYANINE

Common Name

English

MECOCYANIN CHLORIDE

Common Name

English

MEKOCYANIN

Common Name

English

MEKOCYANINE

Common Name

English

CYANIDIN CHLORIDE 3-SOPHOROSIDE [MI]

Common Name

English

Code System Code Type Description

MERCK INDEX

m3947

Created by admin on Mon Mar 31 21:40:45 GMT 2025 , Edited by admin on Mon Mar 31 21:40:45 GMT 2025

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Merck Index

PUBCHEM

14757903

Created by admin on Mon Mar 31 21:40:45 GMT 2025 , Edited by admin on Mon Mar 31 21:40:45 GMT 2025

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FDA UNII

IM48Q4GY6U

Created by admin on Mon Mar 31 21:40:45 GMT 2025 , Edited by admin on Mon Mar 31 21:40:45 GMT 2025

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CAS

4453-78-5

Created by admin on Mon Mar 31 21:40:45 GMT 2025 , Edited by admin on Mon Mar 31 21:40:45 GMT 2025

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