Emindole sb
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Formula: C28H39NO
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Molecular weight: 405.60
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Smiles: CC(=CCCC1(C2CCC3CC4=C(C3(C2(CCC1O)C)C)NC5=CC=CC=C45)C)C
Emindole sb
Names
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Mycotoxin name: Emindole sb
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First synonym: Emindole sb
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Synonyms: Emindole Sb,emindole-SB,CHEMBL1257246,SCHEMBL21671246,BDBM50448074,C20527,112900-04-6
Identifiers / External links
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CAS: 112900-04-6
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PubChem CID: 9887568
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ChemSpiderID: 8063240
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ChEMBL: CHEMBL21671246,CHEMBL1257246
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Chemical Entities of Biological Interest (CHEBI): CHEBI:192683
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SCHEMBL: SCHEMBL21671246
Structure
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Smiles: CC(=CCCC1(C2CCC3CC4=C(C3(C2(CCC1O)C)C)NC5=CC=CC=C45)C)C
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Isomeric smiles: CC(=CCC[C@]1([C@@H]2CC[C@H]3CC4=C([C@@]3([C@]2(CC[C@@H]1O)C)C)NC5=CC=CC=C45)C)C
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Inchi: InChI=1S/C28H39NO/c1-18(2)9-8-15-26(3)23-13-12-19-17-21-20-10-6-7-11-22(20)29-25(21)28(19,5)27(23,4)16-14-24(26)30/h6-7,9-11,19,23-24,29-30H,8,12-17H2,1-5H3/t19-,23-,24-,26-,27-,28+/m0/s1
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Inchikey: XOLHQUYGSUGTQA-DFGZTGKASA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C28H39NO
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Molecular weight: 405.60
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Monoisotopic mass: 405.303164868
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Fungi
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Fungi id Species 196 Aspergillus oryzae