Brassicicene d
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Formula: C21H30O5
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Molecular weight: 362.50
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Smiles: CC1C2CCC(C2=CC3(C(=C)C(=O)C(=C3CC1O)C(C)C)O)(COC)O
Brassicicene d
Names
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Mycotoxin name: Brassicicene d
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First synonym: Brassicicene d
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Synonyms: brassicicene D
Identifiers / External links
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CAS: 240481-38-3
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PubChem CID: 10570646
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ChemSpiderID: 58837219
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Chemical Entities of Biological Interest (CHEBI): CHEBI:205408
Structure
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Smiles: CC1C2CCC(C2=CC3(C(=C)C(=O)C(=C3CC1O)C(C)C)O)(COC)O
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Isomeric smiles: C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3(C(=C)C(=O)C(=C3C[C@@H]1O)C(C)C)O)(COC)O
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Inchi: InChI=1S/C21H30O5/c1-11(2)18-15-8-17(22)12(3)14-6-7-20(24,10-26-5)16(14)9-21(15,25)13(4)19(18)23/h9,11-12,14,17,22,24-25H,4,6-8,10H2,1-3,5H3/b16-9+/t12-,14+,17+,20+,21-/m1/s1
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Inchikey: WRNBXNJPKBYCIY-PIUVDJDPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H30O5
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Molecular weight: 362.50
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Monoisotopic mass: 362.20932405
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Fungi
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Fungi id Species 33 Alternaria brassicicola