3,8-dihydroxy-1,2,4-trimethoxyxanthone
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Formula: C16H14O7
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Molecular weight: 318.28
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Smiles: COC1=C(C(=C(C2=C1C(=O)C3=C(C=CC=C3O2)O)OC)O)OC
3,8-dihydroxy-1,2,4-trimethoxyxanthone
Names
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Mycotoxin name: 3,8-dihydroxy-1,2,4-trimethoxyxanthone
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First synonym: 9h-xanthen-9-one, 3,8-dihydroxy-1,2,4-trimethoxy-
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Synonyms: 9H-Xanthen-9-one, 3,8-dihydroxy-1,2,4-trimethoxy-,3,8-Dihydroxy-1,2,4-trimethoxyxanthone,110187-38-7,DTXSID90149159
Identifiers / External links
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CAS: 110187-38-7
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PubChem CID: 5491745
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ChemSpiderID: 4590689
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CompTox Chemicals Dashboard (DTXSID): DTXSID90149159
Structure
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Smiles: COC1=C(C(=C(C2=C1C(=O)C3=C(C=CC=C3O2)O)OC)O)OC
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Isomeric smiles: COC1=C(C(=C(C2=C1C(=O)C3=C(C=CC=C3O2)O)OC)O)OC
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Inchi: InChI=1S/C16H14O7/c1-20-13-10-11(18)9-7(17)5-4-6-8(9)23-14(10)16(22-3)12(19)15(13)21-2/h4-6,17,19H,1-3H3
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Inchikey: URTSJLZSLJCTDJ-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H14O7
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Molecular weight: 318.28
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Monoisotopic mass: 318.07395278
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Fungi
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Fungi id Species 977 Penicillium steckii