Mollenine a
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Formula: C22H28N2O3
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Molecular weight: 368.50
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Smiles: CC(C)CC1C(=O)N2C(CC3(C2NC4=CC=CC=C43)CC=C(C)C)C(=O)O1
Mollenine a
Names
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Mycotoxin name: Mollenine a
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First synonym: Mollenine a
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Synonyms: Mollenine A,CHEMBL513895
Identifiers / External links
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CAS: 205693-72-7
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PubChem CID: 5324478
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ChemSpiderID: 4482002
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ChEMBL: CHEMBL513895
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Chemical Entities of Biological Interest (CHEBI): CHEBI:203651
Structure
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Smiles: CC(C)CC1C(=O)N2C(CC3(C2NC4=CC=CC=C43)CC=C(C)C)C(=O)O1
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Isomeric smiles: CC(C)C[C@@H]1C(=O)N2[C@H](C[C@@]3([C@H]2NC4=CC=CC=C43)CC=C(C)C)C(=O)O1
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Inchi: InChI=1S/C22H28N2O3/c1-13(2)9-10-22-12-17-20(26)27-18(11-14(3)4)19(25)24(17)21(22)23-16-8-6-5-7-15(16)22/h5-9,14,17-18,21,23H,10-12H2,1-4H3/t17-,18-,21+,22+/m1/s1
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Inchikey: WLPAAGQHCJNVMM-UBBRYJJRSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H28N2O3
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Molecular weight: 368.50
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Monoisotopic mass: 368.20999276
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Fungi
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Fungi id Species 508 Eupenicillium molle