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Monascusone b

  • Formula: C17H18O5

  • Molecular weight: 302.32

  • Smiles: CC=CC1=CC2=C(CO1)C(=O)C3(C(C2)C(C(=O)O3)C(=O)C)C

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Monascusone b

Names
Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
Fungi

Names

  • Mycotoxin name: Monascusone b

  • First synonym: Monascusone b

  • Synonyms: monascusone B

Identifiers / External links

Structure

  • Smiles: CC=CC1=CC2=C(CO1)C(=O)C3(C(C2)C(C(=O)O3)C(=O)C)C

  • Isomeric smiles: C/C=C/C1=CC2=C(CO1)C(=O)[C@]3([C@H](C2)C(C(=O)O3)C(=O)C)C

  • Inchi: InChI=1S/C17H18O5/c1-4-5-11-6-10-7-13-14(9(2)18)16(20)22-17(13,3)15(19)12(10)8-21-11/h4-6,13-14H,7-8H2,1-3H3/b5-4+/t13-,14?,17-/m1/s1

  • Inchikey: GIKQHOXMDCDAPT-ZEJLGOOXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C17H18O5

  • Molecular weight: 302.32

  • Monoisotopic mass: 302.11542367

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