Asperic acid
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Formula: C16H28O4
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Molecular weight: 284.39
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Smiles: CC(CC(C)C(=O)O)C=C(C)C1CCC(O1)(C)C(C)O
Asperic acid
Names
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Mycotoxin name: Asperic acid
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First synonym: Asperic acid
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Synonyms: Asperic acid,SCHEMBL15263510
Identifiers / External links
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CAS: 259096-85-0
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PubChem CID: 10613073
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ChemSpiderID: 8788439
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ChEMBL: CHEMBL15263510
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Chemical Entities of Biological Interest (CHEBI): CHEBI:218208
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SCHEMBL: SCHEMBL15263510
Structure
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Smiles: CC(CC(C)C(=O)O)C=C(C)C1CCC(O1)(C)C(C)O
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Isomeric smiles: CC(CC(C)C(=O)O)/C=C(\C)/[C@@H]1CC[C@@](O1)(C)C(C)O
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Inchi: InChI=1S/C16H28O4/c1-10(9-12(3)15(18)19)8-11(2)14-6-7-16(5,20-14)13(4)17/h8,10,12-14,17H,6-7,9H2,1-5H3,(H,18,19)/b11-8+/t10?,12?,13?,14-,16-/m0/s1
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Inchikey: BVFQDPRIMUDOQZ-MFJRGMGOSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H28O4
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Molecular weight: 284.39
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Monoisotopic mass: 284.19875937
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Fungi
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Fungi id Species 176 Aspergillus niger