Monacolin l
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Formula: C19H28O3
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Molecular weight: 304.40
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Smiles: CC1CCC2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O
Monacolin l
Names
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Mycotoxin name: Monacolin l
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First synonym: Monacolin l
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Synonyms: Monacolin L,monacolin L lactone,(4R,6R)-6-{2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-4-hydroxyoxan-2-one,(4R,6R)-6-{2-[(1S,2S,6R,8aR)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]ethyl}-4-hydroxytetrahydro-2H-pyran-2-one,monakolin l,SCHEMBL10038917,CHEBI:50130,Q27104751
Identifiers / External links
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PubChem CID: 15294098
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ChemSpiderID: 2338659
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ChEMBL: CHEMBL10038917
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Wikidata (wiki): Q27104751
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Chemical Entities of Biological Interest (CHEBI): CHEBI:50130
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SCHEMBL: SCHEMBL10038917
Structure
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Smiles: CC1CCC2C(C(C=CC2=C1)C)CCC3CC(CC(=O)O3)O
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Isomeric smiles: C[C@@H]1CC[C@@H]2[C@H]([C@H](C=CC2=C1)C)CC[C@@H]3C[C@H](CC(=O)O3)O
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Inchi: InChI=1S/C19H28O3/c1-12-3-7-18-14(9-12)5-4-13(2)17(18)8-6-16-10-15(20)11-19(21)22-16/h4-5,9,12-13,15-18,20H,3,6-8,10-11H2,1-2H3/t12-,13+,15-,16-,17+,18+/m1/s1
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Inchikey: BKZPCUPKVCPRQW-MHMDBQTNSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C19H28O3
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Molecular weight: 304.40
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Monoisotopic mass: 304.20384475
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Fungi
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Fungi id Species 649 Monascus ruber No. 1005