Chaetomugilin j
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Formula: C22H27ClO4
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Molecular weight: 390.90
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Smiles: CCC(C)C=CC1=CC2=C(C(=O)C(C(C2=CO1)CC(=O)C(=CC)C)(C)O)Cl
Chaetomugilin j
Names
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Mycotoxin name: Chaetomugilin j
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First synonym: Chaetomugilin j
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Synonyms: Chaetomugilin J,CHEMBL3621756
Identifiers / External links
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CAS: 1187848-01-6
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PubChem CID: 44250065
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ChemSpiderID: 27024228
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ChEMBL: CHEMBL3621756
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Chemical Entities of Biological Interest (CHEBI): CHEBI:202949
Structure
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Smiles: CCC(C)C=CC1=CC2=C(C(=O)C(C(C2=CO1)CC(=O)C(=CC)C)(C)O)Cl
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Isomeric smiles: CC[C@H](C)/C=C/C1=CC2=C(C(=O)[C@@]([C@H](C2=CO1)CC(=O)/C(=C/C)/C)(C)O)Cl
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Inchi: InChI=1S/C22H27ClO4/c1-6-13(3)8-9-15-10-16-17(12-27-15)18(11-19(24)14(4)7-2)22(5,26)21(25)20(16)23/h7-10,12-13,18,26H,6,11H2,1-5H3/b9-8+,14-7+/t13-,18-,22-/m0/s1
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Inchikey: DIBDMIBWFDRKHK-ODXBHRCKSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C22H27ClO4
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Molecular weight: 390.90
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Monoisotopic mass: 390.159787
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Fungi
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Fungi id Species 338 Chaetomium globosum OUPS-T106B-6