Myrothenone b
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Formula: C7H9NO2
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Molecular weight: 139.15
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Smiles: C=CC1(CC(=CC1=O)N)O
Myrothenone b
Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi
Names
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Mycotoxin name: Myrothenone b
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First synonym: Myrothenone b
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Synonyms: Myrothenone B,AKOS006348244
Identifiers / External links
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CAS: 858126-05-3
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PubChem CID: 11298006
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ChemSpiderID: 8747885
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Chemical Entities of Biological Interest (CHEBI): CHEBI:214390
Structure
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Smiles: C=CC1(CC(=CC1=O)N)O
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Isomeric smiles: C=C[C@@]1(CC(=CC1=O)N)O
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Inchi: InChI=1S/C7H9NO2/c1-2-7(10)4-5(8)3-6(7)9/h2-3,10H,1,4,8H2/t7-/m0/s1
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Inchikey: RNZVUWAMBDXWDJ-ZETCQYMHSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C7H9NO2
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Molecular weight: 139.15
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Monoisotopic mass: 139.06332853
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Fungi
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Fungi id Species 656 Myrothecium sp.