Massarinolin a
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Formula: C15H18O4
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Molecular weight: 262.30
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Smiles: CC1=CC2(C(C3(CO2)C4CCC(=C)C3C4)O)OC1=O
Massarinolin a
Names
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Mycotoxin name: Massarinolin a
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First synonym: None
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Synonyms: Massarinolin A,CHEMBL508946,CHEBI:207073,222837-74-3
Identifiers / External links
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CAS: 222837-74-3
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PubChem CID: 10635208
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ChemSpiderID: 8810570
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ChEMBL: CHEMBL508946
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Chemical Entities of Biological Interest (CHEBI): CHEBI:207073
Structure
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Smiles: CC1=CC2(C(C3(CO2)C4CCC(=C)C3C4)O)OC1=O
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Isomeric smiles: CC1=C[C@@]2([C@H]([C@]3(CO2)[C@H]4CCC(=C)[C@@H]3C4)O)OC1=O
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Inchi: InChI=1S/C15H18O4/c1-8-3-4-10-5-11(8)14(10)7-18-15(13(14)17)6-9(2)12(16)19-15/h6,10-11,13,17H,1,3-5,7H2,2H3/t10-,11-,13-,14+,15-/m0/s1
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Inchikey: WSCZAOPWNOYKPC-RCZQDCHWSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C15H18O4
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Molecular weight: 262.30
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Monoisotopic mass: 262.12050905
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Fungi
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Fungi id Species