Aloe-emodin

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Systematic / IUPAC Name: 1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthraquinone

ID: Reference5840

Other Names: Aloe emodin;
Aloe emodine;
Aloe-emodol;
Emodine;
Rhabarberone ; more

Formula: C15H10O5

Class: Endogenous Metabolites

Spectral Data

Aloe-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 Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/27/2016 6:00:43 AM
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Identificators

InChI InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
InChI Key YDQWDHRMZQUTBA-UHFFFAOYSA-N
Canonical SMILES C1=CC2=C(C(=C1)O)C(=O)C3=C(C=C(C=C3C2=O)CO)O
CAS 481721
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Other Names Aloe emodin;
Aloe emodine;
Aloe-emodol;
Emodine;
Rhabarberone;
1,8-Dihydroxy-3-(hydroxymethyl)-9,10-anthracenedione;
1,8-Dihydroxy-3-(hydroxymethyl)-9,10-dihydroanthracene-9,10-dione;
1,8-Dihydroxy-3-(hydroxymethyl)anthra-9,10-quinone;
1,8-Dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione;
1,8-Dihydroxy-3-hydroxymethyl-anthraquinone;
3-(Hydroxymethyl)chrysazin;
3-Hydroxymethylchrysazin;
3-Hydroxymethylchrysazine;
9,10-Anthracenedione, 1,8-dihydroxy-3-(hydroxymethyl)-;
Aloeemodin:9,10-anthracenedione,1,8-dihydroxy-3-(hydroxymethyl)-,;
Anthraquinone, 1,8-dihydroxy-3-hydroxymethyl-;
NSC 38628

In Other Databases

ChEBI CHEBI:2607
Wikipedia Aloe_emodin
ChemSpider 9792
HMDb HMDB30829
ChemIDPlus 000481721
KEGG C10294
PubChem 10207
ChEMBL CHEMBL40275