Purpurin

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Systematic / IUPAC Name: 1,2,4-Trihydroxy-9,10-anthraquinone

ID: Reference1261

Other Names: Verantin;
1,2,4-Trihydroxyanthraquinone;
9,10-Anthracenedione, 1,2,4-trihydroxy-;
Anthraquinone, 1,2,4-trihydroxy-;
Hydroxylizaric acid ; more

Formula: C14H8O5

Class: Endogenous Metabolites Excipients/Additives/Colorants

Spectral Data

Purpurin 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 1601
Tandem Spectra MS1, MS2, MS3, MS4
Ionization Methods ESI; NSI
Analyzers IT; FT
Last Modification 4/3/2017 10:42:20 AM
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Identificators

InChI InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
InChI Key BBNQQADTFFCFGB-UHFFFAOYSA-N
Canonical SMILES C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O
CAS 81549
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Other Names Verantin;
1,2,4-Trihydroxyanthraquinone;
9,10-Anthracenedione, 1,2,4-trihydroxy-;
Anthraquinone, 1,2,4-trihydroxy-;
Hydroxylizaric acid;
Purpurine;
NSC 10447

In Other Databases

ChemSpider 6431
KEGG C10395
Wikipedia 1,2,4-Trihydroxyanthraquinone
ChemIDPlus 000081549
ChEMBL CHEMBL294264
ChEBI CHEBI:8645
PubChem 6683