Pyripyropene o
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Formula: C29H35NO7
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Molecular weight: 509.60
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Smiles: CC(=O)OCC1(C2CCC3(C(C2(CCC1OC(=O)C)C)CC4=C(O3)C=C(OC4=O)C5=CN=CC=C5)C)C
Pyripyropene o
Names
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Mycotoxin name: Pyripyropene o
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First synonym: Pyripyropene o
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Synonyms: Pyripyropene O
Identifiers / External links
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CAS: 176385-04-9
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PubChem CID: 10553713
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Chemical Entities of Biological Interest (CHEBI): CHEBI:220835
Structure
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Smiles: CC(=O)OCC1(C2CCC3(C(C2(CCC1OC(=O)C)C)CC4=C(O3)C=C(OC4=O)C5=CN=CC=C5)C)C
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Isomeric smiles: CC(=O)OC[C@]1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1OC(=O)C)C)CC4=C(O3)C=C(OC4=O)C5=CN=CC=C5)C)C
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Inchi: InChI=1S/C29H35NO7/c1-17(31)34-16-28(4)23-8-11-29(5)24(27(23,3)10-9-25(28)35-18(2)32)13-20-22(37-29)14-21(36-26(20)33)19-7-6-12-30-15-19/h6-7,12,14-15,23-25H,8-11,13,16H2,1-5H3/t23-,24-,25+,27+,28+,29-/m1/s1
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Inchikey: LNZRIIIDRGIMHV-QXHZFDHFSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C29H35NO7
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Molecular weight: 509.60
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Monoisotopic mass: 509.24135246
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Fungi
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Fungi id Species 141 Aspergillus fumigatus FO-1289-2501