Erabulenol a
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Formula: C20H20O6
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Molecular weight: 356.40
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Smiles: CC1C(C2=C(O1)C3=C4C(=C(C=C3C)O)C(=O)C(=C(C4=C2O)O)OC)(C)C
Erabulenol a
Names
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Mycotoxin name: Erabulenol a
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First synonym: Erabulenol a
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Synonyms: Erabulenol A,ZINC14961500
Identifiers / External links
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CAS: 212068-89-8
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PubChem CID: 9975529
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ChemSpiderID: 8151121
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US FDA (UNII): UNII-J3D00AGS1I
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Chemical Entities of Biological Interest (CHEBI): CHEBI:198286
Structure
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Smiles: CC1C(C2=C(O1)C3=C4C(=C(C=C3C)O)C(=O)C(=C(C4=C2O)O)OC)(C)C
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Isomeric smiles: C[C@H]1C(C2=C(O1)C3=C4C(=C(C=C3C)O)C(=O)C(=C(C4=C2O)O)OC)(C)C
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Inchi: InChI=1S/C20H20O6/c1-7-6-9(21)11-12-10(7)18-14(20(3,4)8(2)26-18)15(22)13(12)17(24)19(25-5)16(11)23/h6,8,21-22,24H,1-5H3/t8-/m0/s1
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Inchikey: XXKJBDTZZBQBCP-QMMMGPOBSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H20O6
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Molecular weight: 356.40
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Monoisotopic mass: 356.12598835
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Fungi
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Fungi id Species 951 Penicillium sp. FO-5637