Brassicicene f
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Formula: C21H32O5
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Molecular weight: 364.50
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Smiles: CC1C2CCC(C2=CC3C(=C(C(=O)C3(C)O)C(C)C)CC1O)(COC)O
Brassicicene f
Names
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Mycotoxin name: Brassicicene f
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First synonym: Brassicicene f
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Synonyms: brassicicene F
Identifiers / External links
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CAS: 240481-41-8
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PubChem CID: 10713825
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ChemSpiderID: 58837217
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Chemical Entities of Biological Interest (CHEBI): CHEBI:214144
Structure
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Smiles: CC1C2CCC(C2=CC3C(=C(C(=O)C3(C)O)C(C)C)CC1O)(COC)O
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Isomeric smiles: C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@@H]3C(=C(C(=O)[C@]3(C)O)C(C)C)C[C@@H]1O)(COC)O
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Inchi: InChI=1S/C21H32O5/c1-11(2)18-14-8-17(22)12(3)13-6-7-21(25,10-26-5)16(13)9-15(14)20(4,24)19(18)23/h9,11-13,15,17,22,24-25H,6-8,10H2,1-5H3/b16-9+/t12-,13+,15-,17+,20-,21+/m1/s1
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Inchikey: XADRPXRDEQKIKB-NDGBSBFFSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H32O5
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Molecular weight: 364.50
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Monoisotopic mass: 364.22497412
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Fungi
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Fungi id Species 33 Alternaria brassicicola