Es 242-1
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Formula: C34H36O10
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Molecular weight: 604.60
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Smiles: CC1CC2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)OC(=O)C
Es 242-1
Names
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Mycotoxin name: Es 242-1
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First synonym: Es 242-1
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Synonyms: ES 242-1,136565-66-7,DTXSID20929481,[10-hydroxy-5-(10-hydroxy-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-5-yl)-7,9-dimethoxy-3-methyl-3,4-dihydro-1H-benzo[g]isochromen-4-yl] acetate,(5,5'-Bi-1H-Naphtho(2,3-c)pyran)-4,10,10'-triol, 3,3',4,4'-tetrahydro-7,7',9,9'-tetramethoxy-3,3'-dimethyl-, 4-acetate,10,10'-Dihydroxy-7,7',9,9'-tetramethoxy-3,3'-dimethyl-3,3',4,4'-tetrahydro-1H,1'H-[5,5'-binaphtho[2,3-c]pyran]-4-yl acetate
Identifiers / External links
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CAS: 136565-66-7
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PubChem CID: 131976
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ChemSpiderID: 116587
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Chemical Entities of Biological Interest (CHEBI): CHEBI:204912
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CompTox Chemicals Dashboard (DTXSID): DTXSID20929481
Structure
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Smiles: CC1CC2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)OC(=O)C
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Isomeric smiles: CC1CC2=C(C3=C(C(=CC(=C3)OC)OC)C(=C2CO1)O)C4=C5C(C(OCC5=C(C6=C4C=C(C=C6OC)OC)O)C)OC(=O)C
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Inchi: InChI=1S/C34H36O10/c1-15-8-20-23(13-42-15)32(36)28-21(9-18(38-4)11-25(28)40-6)27(20)30-22-10-19(39-5)12-26(41-7)29(22)33(37)24-14-43-16(2)34(31(24)30)44-17(3)35/h9-12,15-16,34,36-37H,8,13-14H2,1-7H3
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Inchikey: ITZYZLTWHDMFBJ-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C34H36O10
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Molecular weight: 604.60
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Monoisotopic mass: 604.23084734
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Fungi
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Fungi id Species 1179 Verticillium sp. SPC-15898