Kuromanin

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Systematic / IUPAC Name: 2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-3-chromeniumyl β-D-glucopyranoside

ID: Reference6217

Other Names: Chrysanthemin;
Chrysanthemin cation;
Chrysontemin;
Cyanidin 3-β-glucopyranoside;
Cyanidin 3-O-β-D-glucoside ; more

Formula: C21H21O11 +

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Kuromanin 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 556
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/16/2017 2:29:55 PM
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Identificators

InChI InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17-,18+,19-,21-/m1/s1
InChI Key RKWHWFONKJEUEF-GQUPQBGVSA-O
Canonical SMILES C1=CC(=C(C=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O
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Other Names Chrysanthemin;
Chrysanthemin cation;
Chrysontemin;
Cyanidin 3-β-glucopyranoside;
Cyanidin 3-O-β-D-glucoside;
Cyanidin 3-O-glucoside;
Kuromamine;
(2S,3R,4S,5S,6R)-2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl β-D-glucopyranoside

In Other Databases

ChEMBL CHEMBL257839
KEGG C08604
PubChem 441667
ChEBI CHEBI:28426
ChemSpider 390284