Emeremophiline
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Formula: C27H36O6
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Molecular weight: 456.60
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Smiles: CCC(C)C=C(C)C=CC(=O)OC1C=CC2=CC(=O)C(CC2(C1C)C)(C(=C)COC(=O)C)O
Emeremophiline
Names
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Mycotoxin name: Emeremophiline
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First synonym: Emeremophiline
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Synonyms: Emeremophiline
Identifiers / External links
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CAS: 312624-82-1
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PubChem CID: 10004227
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ChemSpiderID: 8179807
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Chemical Entities of Biological Interest (CHEBI): CHEBI:208567
Structure
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Smiles: CCC(C)C=C(C)C=CC(=O)OC1C=CC2=CC(=O)C(CC2(C1C)C)(C(=C)COC(=O)C)O
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Isomeric smiles: CCC(C)/C=C(\C)/C=C/C(=O)OC1C=CC2=CC(=O)C(CC2(C1C)C)(C(=C)COC(=O)C)O
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Inchi: InChI=1S/C27H36O6/c1-8-17(2)13-18(3)9-12-25(30)33-23-11-10-22-14-24(29)27(31,16-26(22,7)20(23)5)19(4)15-32-21(6)28/h9-14,17,20,23,31H,4,8,15-16H2,1-3,5-7H3/b12-9+,18-13+
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Inchikey: DNSSJKQHFCIVIW-HEMGCLFMSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C27H36O6
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Molecular weight: 456.60
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Monoisotopic mass: 456.25118886
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Fungi
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Fungi id Species