Brassicicene b
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Formula: C21H34O4
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Molecular weight: 350.50
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Smiles: CC1C2CCC(C2=CC3(C(CC(=C3CC1O)C(C)C)O)C)(COC)O
Brassicicene b
Names
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Mycotoxin name: Brassicicene b
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First synonym: Brassicicene b
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Synonyms: brassicicene B
Identifiers / External links
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CAS: 240481-34-9
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PubChem CID: 10569879
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ChemSpiderID: 58837220
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Chemical Entities of Biological Interest (CHEBI): CHEBI:215871
Structure
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Smiles: CC1C2CCC(C2=CC3(C(CC(=C3CC1O)C(C)C)O)C)(COC)O
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Isomeric smiles: C[C@@H]1[C@@H]\2CC[C@@](/C2=C/[C@]3([C@H](CC(=C3C[C@@H]1O)C(C)C)O)C)(COC)O
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Inchi: InChI=1S/C21H34O4/c1-12(2)15-8-19(23)20(4)10-17-14(6-7-21(17,24)11-25-5)13(3)18(22)9-16(15)20/h10,12-14,18-19,22-24H,6-9,11H2,1-5H3/b17-10+/t13-,14+,18+,19+,20-,21+/m1/s1
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Inchikey: LJCHDOYLNWEGEZ-DFDBWPMISA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H34O4
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Molecular weight: 350.50
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Monoisotopic mass: 350.24570956
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Fungi
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Fungi id Species 33 Alternaria brassicicola