Monocillin IV
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Formula: C18H22O5
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Molecular weight: 318.40
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Smiles: CC1CC=CCCCCC(=O)CC2=C(C(=CC(=C2)O)O)C(=O)O1
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Type: Resorcyl lactone
Monocillin IV
Names
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Mycotoxin name: Monocillin IV
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First synonym: None
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Synonyms: Monocillin IV,(4R,6E)-16,18-dihydroxy-4-methyl-3-oxabicyclo[12.4.0]octadeca-1(14),6,15,17-tetraene-2,12-dione,Microlactone, 14c,CHEMBL470883,BDBM68255,CHEBI:200268,(8E,11R)-15,17-dihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),8,15,17-tetraene-3,13-dione,1H-2-Benzoxacyclotetradecin-1,11(12H)-dione, 3,4,7,8,9,10-hexahydro-14,16-dihydroxy-3-methyl-, (3R,5E)-
Identifiers / External links
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PubChem CID: 5275906
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ChEMBL: CHEMBL470883
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Chemical Entities of Biological Interest (CHEBI): CHEBI:200268
Structure
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Smiles: CC1CC=CCCCCC(=O)CC2=C(C(=CC(=C2)O)O)C(=O)O1
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Isomeric smiles: C[C@@H]1C/C=C/CCCCC(=O)CC2=C(C(=CC(=C2)O)O)C(=O)O1
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Inchi: InChI=1S/C18H22O5/c1-12-7-5-3-2-4-6-8-14(19)9-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,5,10-12,20-21H,2,4,6-9H2,1H3/b5-3+/t12-/m1/s1
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Inchikey: WSBASKMWDAUNEI-OGOUPESXSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C18H22O5
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Molecular weight: 318.40
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Monoisotopic mass: 318.1467238
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Fungi
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Fungi id Species