Aspochalasin c
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Formula: C24H35NO4
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Molecular weight: 401.50
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Smiles: CC1C2C(NC(=O)C23C(C=C(CCC(C(C=CC3=O)O)O)C)C=C1C)CC(C)C
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Type: Cytochalasan
Aspochalasin c
Names
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Mycotoxin name: Aspochalasin c
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First synonym: Aspochalasin d
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Synonyms: aspochalasin D,aspochalasin C,71968-02-0,CHEMBL519431,MFCD08274559
Identifiers / External links
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CAS: 71968-02-0
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PubChem CID: 20839478
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ChemSpiderID: 20144396
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ChEMBL: CHEMBL519431
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Chemical Entities of Biological Interest (CHEBI): CHEBI:210384
Structure
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Smiles: CC1C2C(NC(=O)C23C(C=C(CCC(C(C=CC3=O)O)O)C)C=C1C)CC(C)C
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Isomeric smiles: C[C@H]1[C@H]2[C@@H](NC(=O)[C@@]23[C@@H](/C=C(/CC[C@@H]([C@H](/C=C/C3=O)O)O)\C)C=C1C)CC(C)C
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Inchi: InChI=1S/C24H35NO4/c1-13(2)10-18-22-16(5)15(4)12-17-11-14(3)6-7-19(26)20(27)8-9-21(28)24(17,22)23(29)25-18/h8-9,11-13,16-20,22,26-27H,6-7,10H2,1-5H3,(H,25,29)/b9-8+,14-11+/t16-,17+,18+,19+,20+,22+,24-/m1/s1
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Inchikey: GCIKKGSNXSCKCP-PJWJRCBPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C24H35NO4
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Molecular weight: 401.50
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Monoisotopic mass: 401.2566086
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Fungi
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Fungi id Species 123 Aspergillus flavipes 171 Aspergillus microcysticus