Monacolin m
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Formula: C23H34O6
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Molecular weight: 406.50
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Smiles: CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)OC(=O)CC(C)O
Monacolin m
Names
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Mycotoxin name: Monacolin m
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First synonym: Monacolin m
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Synonyms: Monacolin M,DTXSID60910176,8-[2-(4-Hydroxy-6-oxooxan-2-yl)ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 3-hydroxybutanoate
Identifiers / External links
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PubChem CID: 129467
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ChemSpiderID: 114653
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CompTox Chemicals Dashboard (DTXSID): DTXSID60910176
Structure
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Smiles: CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)OC(=O)CC(C)O
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Isomeric smiles: CC1CC(C2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O)OC(=O)CC(C)O
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Inchi: InChI=1S/C23H34O6/c1-13-8-16-5-4-14(2)19(7-6-18-11-17(25)12-22(27)28-18)23(16)20(9-13)29-21(26)10-15(3)24/h4-5,8,13-15,17-20,23-25H,6-7,9-12H2,1-3H3
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Inchikey: ICHHXFCJBZGEMY-UHFFFAOYSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C23H34O6
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Molecular weight: 406.50
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Monoisotopic mass: 406.2355388
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Fungi
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Fungi id Species 647 Monascus ruber M4681