Betaenone a
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Formula: C21H34O5
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Molecular weight: 366.50
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Smiles: CCC(C)C1C2(C3C(CC(CC3C(C1(C)O)(C(=CO)C2=O)O)(C)O)C)C
Betaenone a
Names
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Mycotoxin name: Betaenone a
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First synonym: Betaenone a
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Synonyms: BETAENONE A,85269-22-3,NSC376690,DTXSID50420471,NSC-376690,Q4897323
Identifiers / External links
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CAS: 85269-22-3
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PubChem CID: 5478031
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ChemSpiderID: 4585641
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Wikidata (wiki): Q4897323
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Chemical Entities of Biological Interest (CHEBI): CHEBI:145055
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CompTox Chemicals Dashboard (DTXSID): DTXSID50420471
Structure
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Smiles: CCC(C)C1C2(C3C(CC(CC3C(C1(C)O)(C(=CO)C2=O)O)(C)O)C)C
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Isomeric smiles: CC[C@@H](C)[C@@H]1[C@]2([C@H]3[C@@H](C[C@@](C[C@@H]3[C@@]([C@@]1(C)O)(/C(=C/O)/C2=O)O)(C)O)C)C
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Inchi: InChI=1S/C21H34O5/c1-7-11(2)16-19(5)15-12(3)8-18(4,24)9-13(15)21(26,20(16,6)25)14(10-22)17(19)23/h10-13,15-16,22,24-26H,7-9H2,1-6H3/b14-10+/t11-,12-,13+,15+,16-,18-,19-,20+,21+/m1/s1
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Inchikey: FHJXKTOXQHRDTL-PSWVRJCXSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H34O5
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Molecular weight: 366.50
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Monoisotopic mass: 366.24062418
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Fungi
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Fungi id Species 1017 Phoma betae