Spiciferone a
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Formula: C14H16O3
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Molecular weight: 232.27
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Smiles: CCC1(C(=O)C=CC2=C1OC(=C(C2=O)C)C)C
Spiciferone a
Names
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Mycotoxin name: Spiciferone a
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First synonym: Spiciferone a
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Synonyms: Spiciferone A,123421-05-6,(8R)-8-ethyl-2,3,8-trimethylchromene-4,7-dione,2,3,8-Trimethyl-4H-1-benzopyran-4,7(8H)-dione,(-)-Spiciferone A,8-Ethyl-2,3,8-trimethyl-4H-1-benzopyran-4,7(8H)-dione,DTXSID40924498,J3.614.406H,2,3,8beta-Trimethyl-8-ethyl-4H-1-benzopyran-4,7(8H)-dione,4H-1-Benzopyran-4,7(8H)-dione, 8-ethyl-2,3,8-trimethyl-, (8R)-
Identifiers / External links
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CAS: 123421-05-6
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PubChem CID: 180199
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Chemical Entities of Biological Interest (CHEBI): CHEBI:219445
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CompTox Chemicals Dashboard (DTXSID): DTXSID40924498
Structure
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Smiles: CCC1(C(=O)C=CC2=C1OC(=C(C2=O)C)C)C
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Isomeric smiles: CC[C@]1(C(=O)C=CC2=C1OC(=C(C2=O)C)C)C
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Inchi: InChI=1S/C14H16O3/c1-5-14(4)11(15)7-6-10-12(16)8(2)9(3)17-13(10)14/h6-7H,5H2,1-4H3/t14-/m0/s1
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Inchikey: QMMMQWRPZIJGPT-AWEZNQCLSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C14H16O3
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Molecular weight: 232.27
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Monoisotopic mass: 232.109944368
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Fungi
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Fungi id Species 385 Cochliobolus spicifer