Chermesinone c
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Formula: C18H22O6
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Molecular weight: 334.40
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Smiles: CCC(C)C(=O)C1C2C3C(OC(=CC3=CC(=O)C2(OC1=O)C)C)O
Chermesinone c
Names
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Mycotoxin name: Chermesinone c
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First synonym: Chermesinone c
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Synonyms: Chermesinone C,CHEMBL1801781,CHEBI:67398,BDBM50347538,Q27135859,rel-(1S,6aR,9S,9aR,9bS)-1-hydroxy-3,6a-dimethyl-9-[(2S)-2-methylbutanoyl]-9a,9b-dihydro-1H-furo[2,3-h]isochromene-6,8(6aH,9H)-dione
Identifiers / External links
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CAS: 1300040-80-5
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PubChem CID: 53355011
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ChemSpiderID: 26631390
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ChEMBL: CHEMBL1801781
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Wikidata (wiki): Q27135859
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Chemical Entities of Biological Interest (CHEBI): CHEBI:67398
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CompTox Chemicals Dashboard (DTXSID): DTXSID901101713
Structure
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Smiles: CCC(C)C(=O)C1C2C3C(OC(=CC3=CC(=O)C2(OC1=O)C)C)O
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Isomeric smiles: CC[C@H](C)C(=O)[C@@H]1[C@H]2[C@@H]3[C@H](OC(=CC3=CC(=O)[C@@]2(OC1=O)C)C)O
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Inchi: InChI=1S/C18H22O6/c1-5-8(2)15(20)13-14-12-10(6-9(3)23-16(12)21)7-11(19)18(14,4)24-17(13)22/h6-8,12-14,16,21H,5H2,1-4H3/t8-,12+,13-,14+,16-,18-/m0/s1
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Inchikey: POKFFFWIOJPOJZ-OADPAQMCSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H22O6
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Molecular weight: 334.40
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Monoisotopic mass: 334.14163842
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Fungi
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Fungi id Species 755 Penicillium chermesinum ZH4-E2