Alantrypinene b
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Formula: C21H16N4O2
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Molecular weight: 356.40
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Smiles: CC12C3=NC4=CC=CC=C4C(=O)N3C(CC15C=NC6=CC=CC=C56)C(=O)N2
Alantrypinene b
Names
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Mycotoxin name: Alantrypinene b
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First synonym: Alantrypinene b
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Synonyms: Alantrypinene B
Identifiers / External links
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CAS: 853245-38-2
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PubChem CID: 139584890
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ChemSpiderID: 78441900
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Chemical Entities of Biological Interest (CHEBI): CHEBI:203420
Structure
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Smiles: CC12C3=NC4=CC=CC=C4C(=O)N3C(CC15C=NC6=CC=CC=C56)C(=O)N2
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Isomeric smiles: C[C@]12C3=NC4=CC=CC=C4C(=O)N3[C@H](C[C@]15C=NC6=CC=CC=C56)C(=O)N2
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Inchi: InChI=1S/C21H16N4O2/c1-20-19-23-14-8-4-2-6-12(14)18(27)25(19)16(17(26)24-20)10-21(20)11-22-15-9-5-3-7-13(15)21/h2-9,11,16H,10H2,1H3,(H,24,26)/t16-,20+,21-/m1/s1
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Inchikey: UGJOAVUFFONAPW-TYCQWZJGSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C21H16N4O2
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Molecular weight: 356.40
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Monoisotopic mass: 356.12732577
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Fungi
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Fungi id Species 512 Eupenicillium sp.