Mycorrhizin B2
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Formula: C14H14BrClO4
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Molecular weight: 361.61
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Smiles: CC=C(C1=C(C(=O)C23CC2C(OC3(C1=O)O)(C)C)Cl)Br
Mycorrhizin B2
Names
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Mycotoxin name: Mycorrhizin B2
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First synonym: None
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Synonyms: Mycorrhizin B2,(1aR,3aS,7aS)-5-((Z)-1-bromoprop-1-enyl)-6-chloro-3a-hydroxy-2,2-dimethyl-1,1a-dihydrocyclopropa(c)(1)benzofuran-4,7-dione,(1aR,3aS,7aS)-5-[(Z)-1-bromoprop-1-enyl]-6-chloro-3a-hydroxy-2,2-dimethyl-1,1a-dihydrocyclopropa[c][1]benzofuran-4,7-dione,CCRIS 7941,CHEBI:213999,(1aR,3aS,7aS)-5-[(Z)-1-bromoprop-1-enyl]-6-chloro-3a-hydroxy-2,2-dimethyl-1,1a-dihydrocyclopropa[c][1]benzouran-4,7-dione,162382-59-4
Identifiers / External links
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CAS: 162382-59-4
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PubChem CID: 10044141
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ChemSpiderID: 8219705
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Chemical Entities of Biological Interest (CHEBI): CHEBI:213999
Structure
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Smiles: CC=C(C1=C(C(=O)C23CC2C(OC3(C1=O)O)(C)C)Cl)Br
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Isomeric smiles: C/C=C(/C1=C(C(=O)[C@]23C[C@H]2C(O[C@@]3(C1=O)O)(C)C)Cl)\Br
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Inchi: InChI=1S/C14H14BrClO4/c1-4-6(15)8-9(16)11(18)13-5-7(13)12(2,3)20-14(13,19)10(8)17/h4,7,19H,5H2,1-3H3/b6-4-/t7-,13-,14+/m0/s1
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Inchikey: AHZMOBNOWMRQQO-KMZDEDONSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C14H14BrClO4
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Molecular weight: 361.61
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Monoisotopic mass: 359.9764
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Fungi
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Fungi id Species