Emodin

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Systematic / IUPAC Name: 1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone

ID: Reference1218

Other Names: Emdoin;
Emodol;
Frangula emodin;
1,6,8-Trihydroxy-3-methylanthracene-9,10-dione;
6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione ; more

Formula: C15H10O5

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Emodin 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; Q Exactive Orbitrap
No. of Spectral Trees 3
No. of Spectra 1615
Tandem Spectra MS1, MS2, MS3, MS4, MS5
Ionization Methods ESI; APCI; NSI
Analyzers IT; FT
Last Modification 1/11/2017 1:05:22 PM
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Identificators

InChI InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChI Key RHMXXJGYXNZAPX-UHFFFAOYSA-N
Canonical SMILES
CAS 518821
Splash
Other Names Emdoin;
Emodol;
Frangula emodin;
1,6,8-Trihydroxy-3-methylanthracene-9,10-dione;
6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione;
6-Methyl-1,3,8-trihydroxyanthraquinone;
9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-;
Anthraquinone, 1,3,8-trihydroxy-6-methyl-;
Anthraquinone, 6-methyl-1,3,8-trihydroxy-;
Archin ;
Frangulic Acid ;
Schuttgelb

In Other Databases

Wikipedia Emodin
HMDb HMDB35214
ChemIDPlus 000518821
PubChem 3220
ChEMBL CHEMBL289277
ChEBI CHEBI:42223
KEGG C10343
ChemSpider 3107