Chaetomugilin p
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Formula: C22H27ClO5
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Molecular weight: 406.90
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Smiles: CC=C(C(=O)C(C)(C1CC(=O)C(=C2C1=COC(=C2)C=CC(C)C(C)O)C)O)Cl
Chaetomugilin p
Names
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Mycotoxin name: Chaetomugilin p
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First synonym: Chaetomugilin p
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Synonyms: Chaetomugilin P,CHEMBL1797229
Identifiers / External links
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CAS: 1319729-84-4
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PubChem CID: 53358091
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ChemSpiderID: 26607340
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ChEMBL: CHEMBL1797229
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Chemical Entities of Biological Interest (CHEBI): CHEBI:211058
Structure
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Smiles: CC=C(C(=O)C(C)(C1CC(=O)C(=C2C1=COC(=C2)C=CC(C)C(C)O)C)O)Cl
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Isomeric smiles: C/C=C(/C(=O)[C@](C)([C@H]1CC(=O)C(=C2C1=COC(=C2)/C=C/[C@@H](C)[C@@H](C)O)C)O)\Cl
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Inchi: InChI=1S/C22H27ClO5/c1-6-19(23)21(26)22(5,27)18-10-20(25)13(3)16-9-15(28-11-17(16)18)8-7-12(2)14(4)24/h6-9,11-12,14,18,24,27H,10H2,1-5H3/b8-7+,19-6-/t12-,14-,18+,22+/m1/s1
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Inchikey: KLMQRLLJGPIKJE-NCZDROTISA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H27ClO5
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Molecular weight: 406.90
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Monoisotopic mass: 406.1547017
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Fungi
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Fungi id Species 338 Chaetomium globosum OUPS-T106B-6