Okaramine g
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Formula: C32H34N4O3
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Molecular weight: 522.60
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Smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C=C3C(=O)N4C(CC5(C4N(C6=CC=CC=C65)C(C)(C)C=C)O)C(=O)N3
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Type: Cyclopeptide
Okaramine g
Names
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Mycotoxin name: Okaramine g
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First synonym: Okaramine g
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Synonyms: Okaramine G
Identifiers / External links
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CAS: 208719-70-4
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PubChem CID: 101944463
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ChemSpiderID: 78438260
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Chemical Entities of Biological Interest (CHEBI): CHEBI:223196
Structure
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Smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)C=C3C(=O)N4C(CC5(C4N(C6=CC=CC=C65)C(C)(C)C=C)O)C(=O)N3
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Isomeric smiles: CC(C)(C=C)C1=C(C2=CC=CC=C2N1)/C=C\3/C(=O)N4[C@H](C[C@@]5([C@H]4N(C6=CC=CC=C65)C(C)(C)C=C)O)C(=O)N3
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Inchi: InChI=1S/C32H34N4O3/c1-7-30(3,4)26-20(19-13-9-11-15-22(19)33-26)17-23-28(38)35-25(27(37)34-23)18-32(39)21-14-10-12-16-24(21)36(29(32)35)31(5,6)8-2/h7-17,25,29,33,39H,1-2,18H2,3-6H3,(H,34,37)/b23-17-/t25-,29-,32-/m1/s1
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Inchikey: KHWPPFCYPOTQML-TUXURQOUSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C32H34N4O3
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Molecular weight: 522.60
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Monoisotopic mass: 522.26309096
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Fungi
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Fungi id Species 918 Penicillium simplicissimum 921 Penicillium simplicissimum ATCC90288