Pyrenocine b
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Formula: C11H14O5
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Molecular weight: 226.23
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Smiles: CC1=C(C(=CC(=O)O1)OC)C(=O)CC(C)O
Pyrenocine b
Names
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Mycotoxin name: Pyrenocine b
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First synonym: Pyrenocin b
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Synonyms: Pyrenocin B,72674-29-4,Pyrenocine B,Pyrenocine B putative,CHEMBL4446881,SCHEMBL11401320,DTXSID20993506,4-Methoxy-5-(3-hydroxybutyryl)-6-methyl-2H-pyran-2-one,5-(3-Hydroxybutanoyl)-4-methoxy-6-methyl-2H-pyran-2-one,2H-Pyran-2-one, 5-(3-hydroxy-1-oxobutyl)-4-methoxy-6-methyl-, (+)-
Identifiers / External links
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CAS: 72674-29-4
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PubChem CID: 155735
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ChEMBL: CHEMBL11401320,CHEMBL4446881
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CompTox Chemicals Dashboard (DTXSID): DTXSID20993506
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SCHEMBL: SCHEMBL11401320
Structure
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Smiles: CC1=C(C(=CC(=O)O1)OC)C(=O)CC(C)O
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Isomeric smiles: CC1=C(C(=CC(=O)O1)OC)C(=O)CC(C)O
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Inchi: InChI=1S/C11H14O5/c1-6(12)4-8(13)11-7(2)16-10(14)5-9(11)15-3/h5-6,12H,4H2,1-3H3
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Inchikey: NXDGLHJHHJJTSZ-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C11H14O5
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Molecular weight: 226.23
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Monoisotopic mass: 226.08412354
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Fungi
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Fungi id Species 885 Penicillium paxilli PSU-A71