Chaetomugilin r
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Formula: C16H21ClO5
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Molecular weight: 328.79
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Smiles: CC(C=CC1=CC2=C(C(=O)C(C(C2CO1)O)(C)O)Cl)C(C)O
Chaetomugilin r
Names
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Mycotoxin name: Chaetomugilin r
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First synonym: Chaetomugilin r
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Synonyms: Chaetomugilin R,CHEMBL1797231,(7R)-3-[(1E,3S,4S)-3-Methyl-4-hydroxy-1-pentenyl]-5-chloro-7alpha,8beta-dihydroxy-7-methyl-6,7,8,8abeta-tetrahydro-1H-2-benzopyran-6-one
Identifiers / External links
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CAS: 1319729-87-7
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PubChem CID: 53358200
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ChemSpiderID: 26607353
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ChEMBL: CHEMBL1797231
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Chemical Entities of Biological Interest (CHEBI): CHEBI:204663
Structure
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Smiles: CC(C=CC1=CC2=C(C(=O)C(C(C2CO1)O)(C)O)Cl)C(C)O
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Isomeric smiles: C[C@@H](/C=C/C1=CC2=C(C(=O)[C@]([C@H]([C@@H]2CO1)O)(C)O)Cl)[C@H](C)O
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Inchi: InChI=1S/C16H21ClO5/c1-8(9(2)18)4-5-10-6-11-12(7-22-10)14(19)16(3,21)15(20)13(11)17/h4-6,8-9,12,14,18-19,21H,7H2,1-3H3/b5-4+/t8-,9-,12+,14-,16+/m0/s1
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Inchikey: HYQLBUHERBRGKE-HKOMCDGQSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C16H21ClO5
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Molecular weight: 328.79
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Monoisotopic mass: 328.1077515
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Fungi
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Fungi id Species 338 Chaetomium globosum OUPS-T106B-6