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Mycorrhizin a

  • Formula: C14H15ClO4

  • Molecular weight: 282.72

  • Smiles: CC=C(C1=CC(=O)C23CC2C(OC3(C1=O)O)(C)C)Cl

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Mycorrhizin a

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Mycorrhizin a

  • First synonym: None

  • Synonyms: Mycorrhizin a,UNII-O7W86LD6QZ,O7W86LD6QZ,CCRIS 7936,64356-85-0,(+)-MYCORRHIZIN A,MYCORRHIZIN A, (+)-,1H,7H-CYCLOPROPA(C)BENZOFURAN-4,7(3AH)-DIONE, 5-((1Z)-1-CHLORO-1-PROPEN-1-YL)-1A,2-DIHYDRO-3A-HYDROXY-2,2-DIMETHYL-, (1AR,3AS,7AS)-,1H,7H-CYCLOPROPA(C)BENZOFURAN-4,7(3AH)-DIONE, 5-(1-CHLORO-1-PROPENYL)-1A,2-DIHYDRO-3A-HYDROXY-2,2-DIMETHYL-, (1AR-(1A.ALPHA.,3A.BETA.,5(Z),7AS*))-,(1aR,3aS,7aS)-5-((Z)-1-chloroprop-1-enyl)-3a-hydroxy-2,2-dimethyl-1,1a-dihydrocyclopropa(c)(1)benzofuran-4,7-dione,(1aR,3aS,7aS)-5-[(Z)-1-chloroprop-1-enyl]-3a-hydroxy-2,2-dimethyl-1,1a-dihydrocyclopropa[c][1]benzofuran-4,7-dione,DTXSID401031686,Q27285453,1H,7H-CYCLOPROPA(C)BENZOFURAN-4,7(3AH)-DIONE, 5-(1-CHLORO-1-PROPENYL)-1A,2-DIHYDRO-3A-HYDROXY-2,2-DIMETHYL-, (1AR-(1AALPHA,3ABETA,5(Z),7AS*))-

Identifiers / External links

Structure

  • Smiles: CC=C(C1=CC(=O)C23CC2C(OC3(C1=O)O)(C)C)Cl

  • Isomeric smiles: C/C=C(/C1=CC(=O)[C@]23C[C@H]2C(O[C@@]3(C1=O)O)(C)C)\Cl

  • Inchi: InChI=1S/C14H15ClO4/c1-4-8(15)7-5-10(16)13-6-9(13)12(2,3)19-14(13,18)11(7)17/h4-5,9,18H,6H2,1-3H3/b8-4-/t9-,13-,14+/m0/s1

  • Inchikey: CQHWXFJMBUFHLX-NMACGQAHSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C14H15ClO4

  • Molecular weight: 282.72

  • Monoisotopic mass: 282.0658866

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