Chermesinone a
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Formula: C17H22O4
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Molecular weight: 290.40
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Smiles: CCC(C)C(=O)CC1C2=COC(=CC2=CC(=O)C1(C)O)C
Chermesinone a
Names
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Mycotoxin name: Chermesinone a
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First synonym: Chermesinone a
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Synonyms: Chermesinone A,CHEMBL1801779,CHEBI:67396,BDBM50347536,Q27135856,(7R,8S)-7-Hydroxy-3,7-dimethyl-8-[(3S)-3-methyl-2-oxopentyl]-7,8-dihydro-6H-isochromen-6-one
Identifiers / External links
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CAS: 1300040-79-2
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PubChem CID: 53355009
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ChemSpiderID: 26629971
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ChEMBL: CHEMBL1801779
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Wikidata (wiki): Q27135856
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Chemical Entities of Biological Interest (CHEBI): CHEBI:67396
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CompTox Chemicals Dashboard (DTXSID): DTXSID201118319
Structure
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Smiles: CCC(C)C(=O)CC1C2=COC(=CC2=CC(=O)C1(C)O)C
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Isomeric smiles: CC[C@H](C)C(=O)C[C@H]1C2=COC(=CC2=CC(=O)[C@]1(C)O)C
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Inchi: InChI=1S/C17H22O4/c1-5-10(2)15(18)8-14-13-9-21-11(3)6-12(13)7-16(19)17(14,4)20/h6-7,9-10,14,20H,5,8H2,1-4H3/t10-,14-,17+/m0/s1
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Inchikey: ITPVWOANIWCVEO-RMLVOYDJSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C17H22O4
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Molecular weight: 290.40
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Monoisotopic mass: 290.15180918
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Fungi
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Fungi id Species 755 Penicillium chermesinum ZH4-E2