Purpurquinone b
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Formula: C21H20O10
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Molecular weight: 432.40
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Smiles: CC=CC1=CC2=CC(=O)C(C(=O)C2(C(O1)O)O)(C)OC(=O)C3=C(C(=C(C=C3O)O)O)C
Purpurquinone b
Names
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Mycotoxin name: Purpurquinone b
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First synonym: Purpurquinone b
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Synonyms: Purpurquinone B,CHEBI:69470,CHEMBL1823109,Q27137808,(1S,7R,8aS)-1,8a-dihydroxy-7-methyl-6,8-dioxo-3-[(1E)-prop-1-en-1-yl]-6,7,8,8a-tetrahydro-1H-isochromen-7-yl 3,4,6-trihydroxy-2-methylbenzoate
Identifiers / External links
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CAS: 1333907-60-0
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PubChem CID: 54672324
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ChEMBL: CHEMBL1823109
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Wikidata (wiki): Q27137808
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Chemical Entities of Biological Interest (CHEBI): CHEBI:69470
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CompTox Chemicals Dashboard (DTXSID): DTXSID301099940
Structure
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Smiles: CC=CC1=CC2=CC(=O)C(C(=O)C2(C(O1)O)O)(C)OC(=O)C3=C(C(=C(C=C3O)O)O)C
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Isomeric smiles: C/C=C/C1=CC2=CC(=O)[C@@](C(=O)[C@]2([C@H](O1)O)O)(C)OC(=O)C3=C(C(=C(C=C3O)O)O)C
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Inchi: InChI=1S/C21H20O10/c1-4-5-11-6-10-7-14(24)20(3,18(27)21(10,29)19(28)30-11)31-17(26)15-9(2)16(25)13(23)8-12(15)22/h4-8,19,22-23,25,28-29H,1-3H3/b5-4+/t19-,20+,21+/m0/s1
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Inchikey: PLTDHXZQZPWZBC-QWOQCBQGSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H20O10
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Molecular weight: 432.40
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Monoisotopic mass: 432.10564683
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Fungi
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Fungi id Species 900 Penicillium purpurogenum JS03-21