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Emodic acid

  • Formula: C15H8O7

  • Molecular weight: 300.22

  • Smiles: C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)C(=O)O

  • Type: Anthraquinoid

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Emodic acid

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Emodic acid

  • First synonym: None

  • Synonyms: Emodic acid,MLS000876948,4,5,7-trihydroxy-9,10-dioxoanthracene-2-carboxylic acid,NSC624610,SMR000440655,2-Anthracenecarboxylicacid, 9,10-dihydro-4,5,7-trihydroxy-9,10-dioxo-,4,5,7-trihydroxy-9,10-dioxo-2-anthracenecarboxylic acid,Spectrum_000189,SpecPlus_000784,Spectrum2_000421,Spectrum3_001129,Spectrum4_001974,Spectrum5_000645,4,5,7-Trihydroxy-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid,BSPBio_002597,KBioGR_002473,KBioSS_000669,DivK1c_006880,SPECTRUM1504060,SPBio_000402,CHEMBL290914,cid_361510,MEGxm0_000113,SCHEMBL5073407,ACon0_001437,ACon1_000410,CHEBI:93655,KBio1_001824,KBio2_000669,KBio2_003237,KBio2_005805,KBio3_002097,ZJXVNNSMRGTDBI-UHFFFAOYSA-N,BDBM115127,HMS2267O14,CCG-38681,AKOS040734875,NSC-624610,SDCCGMLS-0066762.P001,NCGC00095847-01,NCGC00095847-02,NCGC00095847-03,4,5,7- trihydroxy-2-carboxyanthraquinone,HY-134000,CS-0136365,4,5,7-trihydroxyanthraquinone-2-carboxylic acid,BRD-K94841585-001-03-6,Q27165344,4,5,7-trihydroxy-9,10-diketo-anthracene-2-carboxylic acid,4,5,7-trihydroxy-9,10-dioxo-anthracene-2-carboxylic acid,4,5,7-Trihydroxy-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid,4,5,7-tris(oxidanyl)-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid

Identifiers / External links

Structure

  • Smiles: C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)C(=O)O

  • Isomeric smiles: C1=C(C=C(C2=C1C(=O)C3=C(C2=O)C(=CC(=C3)O)O)O)C(=O)O

  • Inchi: InChI=1S/C15H8O7/c16-6-3-8-12(10(18)4-6)14(20)11-7(13(8)19)1-5(15(21)22)2-9(11)17/h1-4,16-18H,(H,21,22)

  • Inchikey: ZJXVNNSMRGTDBI-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C15H8O7

  • Molecular weight: 300.22

  • Monoisotopic mass: 300.02700259

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Fungi

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