Dihydrotubingensin a
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Formula: C28H37NO
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Molecular weight: 403.60
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Smiles: CC1CCC(C2(C1(CCC3=C2CC4=C(C3)NC5=CC=CC=C45)C)CCC=C(C)C)O
Dihydrotubingensin a
Names
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Mycotoxin name: Dihydrotubingensin a
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First synonym: Dihydrotubingensin a
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Synonyms: Dihydrotubingensin A
Identifiers / External links
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CAS: 354154-75-9
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PubChem CID: 11036873
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ChemSpiderID: 9212047
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Chemical Entities of Biological Interest (CHEBI): CHEBI:208089
Structure
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Smiles: CC1CCC(C2(C1(CCC3=C2CC4=C(C3)NC5=CC=CC=C45)C)CCC=C(C)C)O
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Isomeric smiles: C[C@@H]1CC[C@@H]([C@@]2([C@]1(CCC3=C2CC4=C(C3)NC5=CC=CC=C45)C)CCC=C(C)C)O
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Inchi: InChI=1S/C28H37NO/c1-18(2)8-7-14-28-23-17-22-21-9-5-6-10-24(21)29-25(22)16-20(23)13-15-27(28,4)19(3)11-12-26(28)30/h5-6,8-10,19,26,29-30H,7,11-17H2,1-4H3/t19-,26+,27+,28-/m1/s1
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Inchikey: VNRBHDIODBBYFF-AIERRPMVSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C28H37NO
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Molecular weight: 403.60
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Monoisotopic mass: 403.287514804
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Fungi
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Fungi id Species 275 Aspergillus tubingensis