Okaramine i
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Formula: C27H24N4O3
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Molecular weight: 452.50
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Smiles: CC1(C=CN2C(=CC3=C1NC4=CC=CC=C43)C(=O)N5C(C2=O)CC6(C5NC7=CC=CC=C76)O)C
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Type: Cyclopeptide
Okaramine i
Names
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Mycotoxin name: Okaramine i
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First synonym: Okaramine i
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Synonyms: okaramine I,CHEMBL454564
Identifiers / External links
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CAS: 120717-00-2
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PubChem CID: 10575622
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ChemSpiderID: 8751008
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ChEMBL: CHEMBL454564
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Chemical Entities of Biological Interest (CHEBI): CHEBI:210401
Structure
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Smiles: CC1(C=CN2C(=CC3=C1NC4=CC=CC=C43)C(=O)N5C(C2=O)CC6(C5NC7=CC=CC=C76)O)C
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Isomeric smiles: CC1(/C=C\N2/C(=C\C3=C1NC4=CC=CC=C43)/C(=O)N5[C@@H](C2=O)C[C@@]6([C@H]5NC7=CC=CC=C76)O)C
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Inchi: InChI=1S/C27H24N4O3/c1-26(2)11-12-30-20(13-16-15-7-3-5-9-18(15)28-22(16)26)24(33)31-21(23(30)32)14-27(34)17-8-4-6-10-19(17)29-25(27)31/h3-13,21,25,28-29,34H,14H2,1-2H3/b12-11-,20-13-/t21-,25+,27-/m1/s1
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Inchikey: CTRNZLRKISVIAG-LBJKZLEUSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C27H24N4O3
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Molecular weight: 452.50
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Monoisotopic mass: 452.18484064
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Fungi
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Fungi id Species 80 Aspergillus aculeatus 918 Penicillium simplicissimum