Sordaricin
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Formula: C20H28O4
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Molecular weight: 332.40
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Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)CO
Sordaricin
Names
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Mycotoxin name: Sordaricin
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First synonym: Sordaricin
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Synonyms: Sordaricin,51493-69-7,(-)-Sordaricin,1,4-Methano-s-indacene-3a(1H)-carboxylic acid, 4-formyl-4,4a,5,6,7,7a,8,8a-octahydro-8a-(hydroxymethyl)-7-methyl-3-(1-methylethyl)-,(1R,3aR,4S,4aR,7R,7aR,8aS)-,CHEMBL4582916,DTXSID80965825,CHEBI:140259,(1r,3ar,4s,4ar,7r,7ar,8as)-4-formyl-8a-(hydroxymethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1h)-carboxylic acid,formyl-(hydroxymethyl)-isopropyl-methyl-[?]carboxylic acid,4-Formyl-8a-(hydroxymethyl)-7-methyl-3-(propan-2-yl)-4,4a,5,6,7,7a,8,8a-octahydro-1,4-methano-s-indacene-3a(1H)-carboxylic acid
Identifiers / External links
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CAS: 51493-69-7
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PubChem CID: 485853
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ChEMBL: CHEMBL4582916
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Chemical Entities of Biological Interest (CHEBI): CHEBI:140259
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CompTox Chemicals Dashboard (DTXSID): DTXSID80965825
Structure
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Smiles: CC1CCC2C1CC3(C4CC2(C3(C(=C4)C(C)C)C(=O)O)C=O)CO
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Isomeric smiles: C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3([C@@H]4C[C@]2([C@]3(C(=C4)C(C)C)C(=O)O)C=O)CO
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Inchi: InChI=1S/C20H28O4/c1-11(2)16-6-13-7-19(10-22)15-5-4-12(3)14(15)8-18(13,9-21)20(16,19)17(23)24/h6,10-15,21H,4-5,7-9H2,1-3H3,(H,23,24)/t12-,13+,14-,15-,18+,19+,20-/m1/s1
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Inchikey: QIMCUSGGYZHVEF-VULLPXFTSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C20H28O4
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Molecular weight: 332.40
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Monoisotopic mass: 332.19875937
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Fungi
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Fungi id Species