Aloesin

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Systematic / IUPAC Name: (1S)-1,5-Anhydro-1-[7-hydroxy-5-methyl-4-oxo-2-(2-oxopropyl)-4H-chromen-8-yl]-D-glucitol

ID: Reference6144

Other Names: Aloeresin B;
Aloersin B;
2-Acetonyl-7-hydroxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one;
4H-1-Benzopyran-4-one, 8-β-D-glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-;
7-Hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one

Formula: C19H22O9

Class: Endogenous Metabolites

Spectral Data

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

View Mass Spectra

Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 7196
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 12/6/2016 9:55:03 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C19H22O9/c1-7-3-10(22)14(19-17(26)16(25)15(24)12(6-20)28-19)18-13(7)11(23)5-9(27-18)4-8(2)21/h3,5,12,15-17,19-20,22,24-26H,4,6H2,1-2H3/t12-,15-,16+,17-,19+/m1/s1
InChI Key HKIKAXXIWJHWLY-ZIIYPAMZSA-N
Canonical SMILES CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)C3C(C(C(C(O3)CO)O)O)O)O
CAS 30861279
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Other Names Aloeresin B;
Aloersin B;
2-Acetonyl-7-hydroxy-5-methyl-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]chromen-4-one;
4H-1-Benzopyran-4-one, 8-β-D-glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-;
7-Hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one;
8-β-D-Glucopyranosyl-7-hydroxy-5-methyl-2-(2-oxopropyl)-4H-1-benzopyran-4-one

In Other Databases

KEGG C08994
ChemIDPlus 030861279
ChEBI CHEBI:2608
PubChem 160190
ChemSpider 140797