6,8-Di-O-methylcitreoisocoumarin
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Formula: C16H18O6
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Molecular weight: 306.31
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Smiles: CC(=O)CC(CC1=CC2=CC(=CC(=C2C(=O)O1)OC)OC)O
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Type: Isocoumarin 6
6,8-Di-O-methylcitreoisocoumarin
Names
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Mycotoxin name: 6,8-Di-O-methylcitreoisocoumarin
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First synonym: None
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Synonyms: 6,8-Di-O-methylcitreoisocoumarin,908098-80-6,3-(2-hydroxy-4-oxopentyl)-6,8-dimethoxyisochromen-1-one,MEGxm0_000318,CHEMBL3437592,ACon1_000764,AKOS040734109,NCGC00169382-01
Identifiers / External links
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CAS: 908098-80-6
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PubChem CID: 21581434
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ChemSpiderID: 10194996
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ChEMBL: CHEMBL3437592
Structure
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Smiles: CC(=O)CC(CC1=CC2=CC(=CC(=C2C(=O)O1)OC)OC)O
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Isomeric smiles: CC(=O)CC(CC1=CC2=CC(=CC(=C2C(=O)O1)OC)OC)O
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Inchi: InChI=1S/C16H18O6/c1-9(17)4-11(18)7-13-6-10-5-12(20-2)8-14(21-3)15(10)16(19)22-13/h5-6,8,11,18H,4,7H2,1-3H3
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Inchikey: JEVUJHJOJYCWTP-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H18O6
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Molecular weight: 306.31
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Monoisotopic mass: 306.11033829
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Fungi
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Fungi id Species 865 Penicillium nalgiovense