3'-n-acetyl-4'-o-(14-methylheptadecanoyl)fusarochromanone
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Formula: C35H56N2O6
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Molecular weight: 600.80
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Smiles: CC(C)CCCCCCCCCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C
3'-n-acetyl-4'-o-(14-methylheptadecanoyl)fusarochromanone
Names
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Mycotoxin name: 3'-n-acetyl-4'-o-(14-methylheptadecanoyl)fusarochromanone
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First synonym: 3'-n-acetyl-4'-o-(14-methylheptadecanoyl)fusarochromanone
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Synonyms: 3'-N-Acetyl-4'-O-(14-methylheptadecanoyl)fusarochromanone,3'-N-Acetyl-4'-O-(16-methylheptadecanoyl)fusarochromanone
Identifiers / External links
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CAS: 136762-44-2
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PubChem CID: 102146768
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ChemSpiderID: 35014603
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Chemical Entities of Biological Interest (CHEBI): CHEBI:230571
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CompTox Chemicals Dashboard (DTXSID): DTXSID901103064
Structure
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Smiles: CC(C)CCCCCCCCCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C
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Isomeric smiles: CC(C)CCCCCCCCCCCCCCC(=O)OCC(CC(=O)C1=C(C2=C(C=C1)OC(CC2=O)(C)C)N)NC(=O)C
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Inchi: InChI=1S/C35H56N2O6/c1-25(2)18-16-14-12-10-8-6-7-9-11-13-15-17-19-32(41)42-24-27(37-26(3)38)22-29(39)28-20-21-31-33(34(28)36)30(40)23-35(4,5)43-31/h20-21,25,27H,6-19,22-24,36H2,1-5H3,(H,37,38)
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Inchikey: NQLASHIWANSPGZ-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C35H56N2O6
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Molecular weight: 600.80
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Monoisotopic mass: 600.41383751
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Fungi
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Fungi id Species 533 Fusarium equiseti