Penicolinate B
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Formula: C23H30N2O4
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Molecular weight: 398.50
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Smiles: COC(=O)C1=NC=C(C=C1)CCCCCCCCCCC2=CN=C(C=C2)C(=O)O
Penicolinate B
Names
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Mycotoxin name: Penicolinate B
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First synonym: None
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Synonyms: Penicolinate B,1418291-70-9,5-[10-(6-carboxy-3-pyridinyl)decyl]-2-pyridinecarboxylic acid, 2-methyl ester,5-[10-(6-methoxycarbonylpyridin-3-yl)decyl]pyridine-2-carboxylic acid,5-(10-(6-methoxycarbonylpyridin-3-yl)decyl)pyridine-2-carboxylic acid,CHEBI:201037,5-(10-(6-(Methoxycarbonyl)pyridin-3-yl)decyl)picolinic acid
Identifiers / External links
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CAS: 1418291-70-9
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PubChem CID: 71521892
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ChemSpiderID: 78434684
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Chemical Entities of Biological Interest (CHEBI): CHEBI:201037
Structure
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Smiles: COC(=O)C1=NC=C(C=C1)CCCCCCCCCCC2=CN=C(C=C2)C(=O)O
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Isomeric smiles: COC(=O)C1=NC=C(C=C1)CCCCCCCCCCC2=CN=C(C=C2)C(=O)O
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Inchi: InChI=1S/C23H30N2O4/c1-29-23(28)21-15-13-19(17-25-21)11-9-7-5-3-2-4-6-8-10-18-12-14-20(22(26)27)24-16-18/h12-17H,2-11H2,1H3,(H,26,27)
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Inchikey: CXLUZXYNRSVBKX-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H30N2O4
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Molecular weight: 398.50
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Monoisotopic mass: 398.22055744
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Fungi
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Fungi id Species