Brassicicene e
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Formula: C23H34O7
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Molecular weight: 422.50
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Smiles: CC1C2CCC(C2=CC3(C(=C(C(=O)C3(C)OC(=O)C)C(C)C)CC1O)O)(COC)O
Brassicicene e
Names
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Mycotoxin name: Brassicicene e
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First synonym: Brassicicene e
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Synonyms: brassicicene E
Identifiers / External links
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CAS: 240481-40-7
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PubChem CID: 10598323
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ChemSpiderID: 58837218
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Chemical Entities of Biological Interest (CHEBI): CHEBI:197787
Structure
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Smiles: CC1C2CCC(C2=CC3(C(=C(C(=O)C3(C)OC(=O)C)C(C)C)CC1O)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@]3(C)OC(=O)C)C(C)C)C[C@@H]1O)O)(COC)O
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Inchi: InChI=1S/C23H34O7/c1-12(2)19-16-9-18(25)13(3)15-7-8-22(27,11-29-6)17(15)10-23(16,28)21(5,20(19)26)30-14(4)24/h10,12-13,15,18,25,27-28H,7-9,11H2,1-6H3/b17-10+/t13-,15+,18+,21+,22+,23+/m1/s1
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Inchikey: BXZRFNRVGCBGTM-ZXHYCMTBSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H34O7
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Molecular weight: 422.50
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Monoisotopic mass: 422.23045342
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Fungi
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Fungi id Species 33 Alternaria brassicicola