Decaturin d
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Formula: C30H35NO4
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Molecular weight: 473.60
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Smiles: CC1=CCC2C3(CCC(=O)C(C3CCC2(C14CC5=C(O4)C=C(OC5=O)C6=CN=CC=C6)C)(C)C)C
Decaturin d
Names
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Mycotoxin name: Decaturin d
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First synonym: Decaturin d
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Synonyms: decaturin D,CHEMBL479323
Identifiers / External links
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CAS: 849339-60-2
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PubChem CID: 11178957
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ChemSpiderID: 9354047
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ChEMBL: CHEMBL479323
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Chemical Entities of Biological Interest (CHEBI): CHEBI:225642
Structure
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Smiles: CC1=CCC2C3(CCC(=O)C(C3CCC2(C14CC5=C(O4)C=C(OC5=O)C6=CN=CC=C6)C)(C)C)C
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Isomeric smiles: CC1=CC[C@@H]2[C@]3(CCC(=O)C([C@@H]3CC[C@]2([C@]14CC5=C(O4)C=C(OC5=O)C6=CN=CC=C6)C)(C)C)C
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Inchi: InChI=1S/C30H35NO4/c1-18-8-9-24-28(4)12-11-25(32)27(2,3)23(28)10-13-29(24,5)30(18)16-20-22(35-30)15-21(34-26(20)33)19-7-6-14-31-17-19/h6-8,14-15,17,23-24H,9-13,16H2,1-5H3/t23-,24+,28-,29+,30-/m0/s1
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Inchikey: AHYSWFBBMLPXFU-XBRQCBKPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C30H35NO4
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Molecular weight: 473.60
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Monoisotopic mass: 473.2566086
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Fungi
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Fungi id Species 982 Penicillium thiersii