Paraherquamide i
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Formula: C28H31N3O5
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Molecular weight: 489.60
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Smiles: CC1=CC(=O)N2C13CC4C(C5(CC4(C2)N(C3=O)C)C6=C(C7=C(C=C6)OC(C=CO7)(C)C)NC5=O)(C)C
Paraherquamide i
Names
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Mycotoxin name: Paraherquamide i
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First synonym: None
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Synonyms:
Identifiers / External links
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PubChem CID: 102183347
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ChemSpiderID: 78438259
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Chemical Entities of Biological Interest (CHEBI): CHEBI:223178
Structure
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Smiles: CC1=CC(=O)N2C13CC4C(C5(CC4(C2)N(C3=O)C)C6=C(C7=C(C=C6)OC(C=CO7)(C)C)NC5=O)(C)C
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Isomeric smiles: CC1=CC(=O)N2[C@]13C[C@@H]4[C@](C2)(C[C@@]5(C4(C)C)C6=C(C7=C(C=C6)OC(C=CO7)(C)C)NC5=O)N(C3=O)C
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Inchi: InChI=1S/C28H31N3O5/c1-15-11-19(32)31-14-26-13-27(25(4,5)18(26)12-28(15,31)23(34)30(26)6)16-7-8-17-21(20(16)29-22(27)33)35-10-9-24(2,3)36-17/h7-11,18H,12-14H2,1-6H3,(H,29,33)/t18-,26+,27+,28+/m0/s1
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Inchikey: JGNFKKUKKXSBJH-VZCHTHDKSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C28H31N3O5
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Molecular weight: 489.60
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Monoisotopic mass: 489.2263711
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Fungi
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Fungi id Species