Keracyanin

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Systematic / IUPAC Name: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl 6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranoside

ID: Reference6200

Other Names: Cyanidin 3-O-rhamnosylglucoside;
Cyanidin 3-O-rutinoside;
Cyanidin 3-rhamnoglucoside;
Cyanidin 3-rutinoside;
Cyaninoside

Formula: C27H31O15 +

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Keracyanin mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 1034
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/11/2017 10:17:15 AM
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Identificators

InChI 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
InChI Key USNPULRDBDVJAO-FXCAAIILSA-O
Canonical SMILES CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C([O+]=C4C=C(C=C(C4=C3)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
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Other Names Cyanidin 3-O-rhamnosylglucoside;
Cyanidin 3-O-rutinoside;
Cyanidin 3-rhamnoglucoside;
Cyanidin 3-rutinoside;
Cyaninoside;
Sambucin

In Other Databases

PubChem 441674
ChEBI CHEBI:28064
ChEMBL CHEMBL505251
ChemSpider 390288
KEGG C08620