Modiolide a
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Formula: C10H14O4
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Molecular weight: 198.22
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Smiles: CC1CC(C=CC(C=CC(=O)O1)O)O
Modiolide a
Names
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Mycotoxin name: Modiolide a
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First synonym: Modiolide a
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Synonyms: Modiolide A,CHEMBL517659,SCHEMBL15516225,ZINC14594569,5,8-dihydroxy-10-methyl-5,8,9,10-tetrahydro-2H-oxecin-2-one
Identifiers / External links
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CAS: 507219-67-2
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PubChem CID: 643697
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ChemSpiderID: 558812
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ChEMBL: CHEMBL517659,CHEMBL15516225
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Chemical Entities of Biological Interest (CHEBI): CHEBI:190592
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SCHEMBL: SCHEMBL15516225
Structure
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Smiles: CC1CC(C=CC(C=CC(=O)O1)O)O
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Isomeric smiles: C[C@@H]1C[C@@H](/C=C/[C@H](/C=C\C(=O)O1)O)O
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Inchi: InChI=1S/C10H14O4/c1-7-6-9(12)3-2-8(11)4-5-10(13)14-7/h2-5,7-9,11-12H,6H2,1H3/b3-2+,5-4-/t7-,8-,9-/m1/s1
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Inchikey: MKPZLFSGCUYQEY-JKPBTABPSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C10H14O4
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Molecular weight: 198.22
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Monoisotopic mass: 198.08920892
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Fungi
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Fungi id Species 416 Curvularia sp.