Cytochalasin f
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Formula: C29H37NO5
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Molecular weight: 479.60
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Smiles: CC1CCCC(C=CC(=O)OC23C(C=CC1)C4C(O4)(C(C2C(NC3=O)CC5=CC=CC=C5)C)C)O
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Type: Cytochalasan
Cytochalasin f
Names
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Mycotoxin name: Cytochalasin f
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First synonym: Cytochalasin f
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Synonyms: Cytochalasin F,UNII-O75KLH41XO,O75KLH41XO,36084-18-1,Cytochalasin F6,(1S,4E,6R,10R,12E,14S,15S,17R,18S,19S,20S)-20-benzyl-6-hydroxy-10,17,18-trimethyl-2,16-dioxa-21-azatetracyclo[12.8.0.01,19.015,17]docosa-4,12-diene-3,22-dione,SCHEMBL33570,MFCD01710738,ZINC105565553,Q27285430,24-Oxa(14)cytochalasa-13,21-diene-1,23-dione, 6,7-epoxy-20-hydroxy-16-methyl-10-phenyl-, (7S,13E,16R,20R,21E)-
Identifiers / External links
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CAS: 36084-18-1
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PubChem CID: 21672263
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ChemSpiderID: 4945717
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ChEMBL: CHEMBL33570,CHEMBL4849943
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US FDA (UNII): UNII-O75KLH41XO
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Wikidata (wiki): Q27285430
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CompTox Chemicals Dashboard (DTXSID): DTXSID601317361
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SCHEMBL: SCHEMBL33570
Structure
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Smiles: CC1CCCC(C=CC(=O)OC23C(C=CC1)C4C(O4)(C(C2C(NC3=O)CC5=CC=CC=C5)C)C)O
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Isomeric smiles: C[C@@H]1CCC[C@H](/C=C/C(=O)O[C@]23[C@@H](/C=C/C1)[C@H]4[C@](O4)([C@H]([C@H]2[C@@H](NC3=O)CC5=CC=CC=C5)C)C)O
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Inchi: InChI=1S/C29H37NO5/c1-18-9-7-13-21(31)15-16-24(32)34-29-22(14-8-10-18)26-28(3,35-26)19(2)25(29)23(30-27(29)33)17-20-11-5-4-6-12-20/h4-6,8,11-12,14-16,18-19,21-23,25-26,31H,7,9-10,13,17H2,1-3H3,(H,30,33)/b14-8+,16-15+/t18-,19+,21-,22+,23+,25+,26+,28-,29-/m1/s1
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Inchikey: CXWYFIYZAZBQGQ-QJMMVEIUSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C29H37NO5
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Molecular weight: 479.60
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Monoisotopic mass: 479.26717328
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Fungi
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Fungi id Species 598 Helminthosporium dematioideum 1026 Phoma exigua var. heteromorpha