Arisugacin e
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Formula: C27H34O6
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Molecular weight: 454.60
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Smiles: CC1(C(CCC2(C1(CCC3(C2CC4=C(O3)C=C(OC4=O)C5=CC=C(C=C5)OC)C)O)C)O)C
Arisugacin e
Names
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Mycotoxin name: Arisugacin e
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First synonym: Chembl3632854
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Synonyms: CHEMBL3632854,Arisugacin E,BDBM50130208
Identifiers / External links
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CAS: 261951-22-8
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PubChem CID: 10647381
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ChemSpiderID: 8822739
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ChEMBL: CHEMBL3632854
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Chemical Entities of Biological Interest (CHEBI): CHEBI:212388
Structure
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Smiles: CC1(C(CCC2(C1(CCC3(C2CC4=C(O3)C=C(OC4=O)C5=CC=C(C=C5)OC)C)O)C)O)C
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Isomeric smiles: C[C@]12CC[C@H](C([C@@]1(CC[C@@]3([C@@H]2CC4=C(O3)C=C(OC4=O)C5=CC=C(C=C5)OC)C)O)(C)C)O
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Inchi: InChI=1S/C27H34O6/c1-24(2)22(28)10-11-25(3)21-14-18-20(33-26(21,4)12-13-27(24,25)30)15-19(32-23(18)29)16-6-8-17(31-5)9-7-16/h6-9,15,21-22,28,30H,10-14H2,1-5H3/t21-,22-,25-,26-,27-/m1/s1
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Inchikey: GECAUTUYQKKNPV-XIVUVDIESA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C27H34O6
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Molecular weight: 454.60
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Monoisotopic mass: 454.2355388
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Fungi
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Fungi id Species 950 Penicillium sp. FO-4259-11