Chermesinone b
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Formula: C18H20O5
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Molecular weight: 316.30
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Smiles: CCC(C)C(=O)C1C2C3=COC(=CC3=CC(=O)C2(OC1=O)C)C
Chermesinone b
Names
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Mycotoxin name: Chermesinone b
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First synonym: Chermesinone b
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Synonyms: Chermesinone B,CHEMBL1801780,CHEBI:67397,BDBM50347537,Q27135857,rel-(6aR,9S,9aS)-3,6a-Dimethyl-9-[(2S)-2-methylbutanoyl]-9,9a-dihydro-6H-furo[2,3-h]isochromene-6,8(6aH)-dione
Identifiers / External links
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CAS: 1881246-18-9
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PubChem CID: 53355010
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ChemSpiderID: 26631389
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ChEMBL: CHEMBL1801780
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Wikidata (wiki): Q27135857
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Chemical Entities of Biological Interest (CHEBI): CHEBI:67397
Structure
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Smiles: CCC(C)C(=O)C1C2C3=COC(=CC3=CC(=O)C2(OC1=O)C)C
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Isomeric smiles: CC[C@H](C)C(=O)[C@@H]1[C@H]2C3=COC(=CC3=CC(=O)[C@@]2(OC1=O)C)C
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Inchi: InChI=1S/C18H20O5/c1-5-9(2)16(20)14-15-12-8-22-10(3)6-11(12)7-13(19)18(15,4)23-17(14)21/h6-9,14-15H,5H2,1-4H3/t9-,14-,15+,18-/m0/s1
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Inchikey: MZMGICPQNSXAGE-SRSSHDMCSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H20O5
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Molecular weight: 316.30
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Monoisotopic mass: 316.13107373
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Fungi
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Fungi id Species 755 Penicillium chermesinum ZH4-E2