Monascusone A
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Formula: C13H18O5
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Molecular weight: 254.28
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Smiles: CC(CC1=CC2=C(CO1)C(=O)C(C(C2)O)(C)O)O
Monascusone A
Names
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Mycotoxin name: Monascusone A
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First synonym: None
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Synonyms: Monascusone A,C13H18O5,(6S,7R)-6,7-dihydroxy-3-[(2S)-2-hydroxypropyl]-7-methyl-5,6-dihydro-1H-isochromen-8-one,CHEBI:204705,8H-2-benzopyran-8-one, 1,5,6,7-tetrahydro-6,7-dihydroxy-3-[(2S)-2-hydroxypropyl]-7-methyl-, (6S,7R)-
Identifiers / External links
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PubChem CID: 6483307
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ChemSpiderID: 4983764
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Chemical Entities of Biological Interest (CHEBI): CHEBI:204705
Structure
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Smiles: CC(CC1=CC2=C(CO1)C(=O)C(C(C2)O)(C)O)O
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Isomeric smiles: C[C@@H](CC1=CC2=C(CO1)C(=O)[C@]([C@H](C2)O)(C)O)O
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Inchi: InChI=1S/C13H18O5/c1-7(14)3-9-4-8-5-11(15)13(2,17)12(16)10(8)6-18-9/h4,7,11,14-15,17H,3,5-6H2,1-2H3/t7-,11-,13+/m0/s1
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Inchikey: RLGZZHKMYXHQLV-LCHGKGQCSA-N
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2D structure:
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3D structure:
Physico-chemical properties
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Formula: C13H18O5
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Molecular weight: 254.28
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Monoisotopic mass: 254.11542367
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Fungi
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Fungi id Species 630 Monascus kaoliang