Rhein

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Systematic / IUPAC Name: 4,5-Dihydroxy-9,10-dioxoanthracene-2-carboxylic acid

ID: Reference3484

Other Names: Cassic acid;
Monorhein;
Rheic acid;
Rhubarb yellow;
1,8-Dihydroxy-3-carboxyanthraquinone ; more

Formula: C15H8O6

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Rhein 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 2
No. of Spectra 2988
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/24/2017 8:47:31 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C15H8O6/c16-9-3-1-2-7-11(9)14(19)12-8(13(7)18)4-6(15(20)21)5-10(12)17/h1-5,16-17H,(H,20,21)
InChI Key FCDLCPWAQCPTKC-UHFFFAOYSA-N
Canonical SMILES C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)C(=O)O)O
CAS 478433
Splash
Other Names Cassic acid;
Monorhein;
Rheic acid;
Rhubarb yellow;
1,8-Dihydroxy-3-carboxyanthraquinone;
1,8-Dihydroxy-3-carboxyl anthraquinone;
1,8-Dihydroxyanthraquinone-3-carboxylic acid;
2-Anthracenecarboxylic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-;
2-Anthraquinonecarboxylic acid, 4,5-dihydroxy-;
2-Anthroic acid, 9,10-dihydro-4,5-dihydroxy-9,10-dioxo-;
4,5-Dihydroxy-2-anthraquinonecarboxylic acid;
4,5-Dihydroxy-9,10-diketo-anthracene-2-carboxylic acid;
4,5-Dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid;
4,5-Dihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid;
4,5-Dihydroxy-9,10-dioxo-anthracene-2-carboxylic acid;
4,5-Dihydroxyanthraquinone-2-carboxylic acid;
9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthracenecarboxylic acid;
9,10-Dihydro-4,5-dihydroxy-9,10-dioxo-2-anthroic acid;
9,10-Dihydro-4,5-dihydroxy-9,10-dioxoanthracene-2-carboxylic acid;
Chrysazin-3-carboxylic acid;
Dipropionyl rhein

In Other Databases

PubChem 10168
ChEBI CHEBI:8825
KEGG C10401
Wikipedia Rhein (molecule)
ChemSpider 9762
HMDb HMDB32876