Harzianic acid
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Formula: C19H27NO6
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Molecular weight: 365.40
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Smiles: CCCC=CC=CC(=C1C(=O)C(N(C1=O)C)CC(C(C)C)(C(=O)O)O)O
Harzianic acid
Names
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Mycotoxin name: Harzianic acid
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First synonym: Harzianic acid
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Synonyms: Harzianic acid,157148-06-6,2-hydroxy-2-[[(4E)-4-[(2E,4E)-1-hydroxyocta-2,4-dienylidene]-1-methyl-3,5-dioxopyrrolidin-2-yl]methyl]-3-methylbutanoic acid,SCHEMBL17022771,SCHEMBL19130532,2-Pyrrolidinepropanoic acid, 3,5-dioxo-alpha-hydroxy-4-(1-hydroxy-2,4-octadienylidene)-1-methyl-alpha-(1-methylethyl)-
Identifiers / External links
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CAS: 157148-06-6
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PubChem CID: 54691490
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ChemSpiderID: 4948324
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ChEMBL: CHEMBL19130532,CHEMBL17022771
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SCHEMBL: SCHEMBL19130532,SCHEMBL17022771
Structure
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Smiles: CCCC=CC=CC(=C1C(=O)C(N(C1=O)C)CC(C(C)C)(C(=O)O)O)O
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Isomeric smiles: CCC/C=C/C=C/C(=C\1/C(=O)C(N(C1=O)C)CC(C(C)C)(C(=O)O)O)/O
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Inchi: InChI=1S/C19H27NO6/c1-5-6-7-8-9-10-14(21)15-16(22)13(20(4)17(15)23)11-19(26,12(2)3)18(24)25/h7-10,12-13,21,26H,5-6,11H2,1-4H3,(H,24,25)/b8-7+,10-9+,15-14+
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Inchikey: FQSWTHMMNDRFAI-RFJZBCCMSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H27NO6
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Molecular weight: 365.40
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Monoisotopic mass: 365.18383758
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Fungi
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Fungi id Species 1151 Trichoderma harzianum SY-307