Cytochalasin ppho
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Formula: C30H41NO6
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Molecular weight: 511.60
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Smiles: CC1CC=CC2C(C(C(C3C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)(C)O)O
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Type: Cytochalasan
Cytochalasin ppho
Names
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Mycotoxin name: Cytochalasin ppho
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First synonym: Cytochalasin ppho
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Synonyms: Cytochalasin Ppho,UNII-WQ5B4204W8,108050-27-7,WQ5B4204W8,[(1R,2R,3E,5R,7S,9E,11R,12S,13S,14S,15R,16S)-16-benzyl-5,12,13-trihydroxy-5,7,13,14-tetramethyl-18-oxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9-dien-2-yl] acetate,cytochalasin p,SCHEMBL33778,MLS000563205,CHEMBL3211677,CHEBI:187651,SMR000470862,Q27292771,(11)Cytochalasa-13,19-dien-1-one, 21-(acetyloxy)-6,7,18-trihydroxy-16,18-dimethyl-10-phenyl-, (6S,7S,13E,16S,18R,19E,21R)-,1H-Cycloundec(d)isoindol-1-one, 15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12- tetramethyl-3-(phenylmethyl)-, (3S,3aR,4S,5S,6S,6aR,7E,10S,12R,13E,15R,15aR)-,1H-Cycloundec(d)isoindol-1-one, 15-(acetyloxy)-2,3,3a,4,5,6,6a,9,10,11,12,15-dodecahydro-5,6,12-trihydroxy-4,5,10,12-tetramethyl-3-(phenylmethyl)-, (3S-(3R*,3aS*,4R*,5R*,6R*,6aS*,7E,10R*,12S*,13E,15S*,15aS*))-
Identifiers / External links
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CAS: 108050-27-7
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PubChem CID: 13892289
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ChemSpiderID: 4946905
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ChEMBL: CHEMBL33778,CHEMBL3211677
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US FDA (UNII): UNII-WQ5B4204W8
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Wikidata (wiki): Q5,Q27292771
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Chemical Entities of Biological Interest (CHEBI): CHEBI:187651
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CompTox Chemicals Dashboard (DTXSID): DTXSID501098550
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SCHEMBL: SCHEMBL33778
Structure
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Smiles: CC1CC=CC2C(C(C(C3C2(C(C=CC(C1)(C)O)OC(=O)C)C(=O)NC3CC4=CC=CC=C4)C)(C)O)O
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Isomeric smiles: C[C@H]1C/C=C/[C@H]2[C@@H]([C@@]([C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@](C1)(C)O)OC(=O)C)C(=O)N[C@H]3CC4=CC=CC=C4)C)(C)O)O
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Inchi: InChI=1S/C30H41NO6/c1-18-10-9-13-22-26(33)29(5,36)19(2)25-23(16-21-11-7-6-8-12-21)31-27(34)30(22,25)24(37-20(3)32)14-15-28(4,35)17-18/h6-9,11-15,18-19,22-26,33,35-36H,10,16-17H2,1-5H3,(H,31,34)/b13-9+,15-14+/t18-,19-,22-,23-,24+,25-,26-,28-,29-,30+/m0/s1
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Inchikey: AVASIWUXPVFFGK-WRERFMELSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C30H41NO6
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Molecular weight: 511.60
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Monoisotopic mass: 511.29338803
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Fungi
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Fungi id Species 1049 Phomopsis sp.