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Comazaphilone c

  • Formula: C22H24O8

  • Molecular weight: 416.40

  • Smiles: CC=CC1=CC2=C(CO1)C(=O)C(C(C2)O)(C)OC(=O)C3=C(C(=C(C=C3C)O)O)OC

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Comazaphilone c

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

  • Mycotoxin name: Comazaphilone c

  • First synonym: Comazaphilone c

  • Synonyms: Comazaphilone C,CHEBI:70012,CHEMBL1689197,Q27138353,(6R,7R)-6-Hydroxy-7-methyl-8-oxo-3-[(1E)-prop-1-en-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate,[(6R,7R)-6-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-7-yl] 3,4-dihydroxy-2-methoxy-6-methyl-benzoate,rel-(6R,7R)-6-hydroxy-7-methyl-8-oxo-3-[(1E)-prop-1-en-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-7-yl 3,4-dihydroxy-2-methoxy-6-methylbenzoate

Identifiers / External links

Structure

  • Smiles: CC=CC1=CC2=C(CO1)C(=O)C(C(C2)O)(C)OC(=O)C3=C(C(=C(C=C3C)O)O)OC

  • Isomeric smiles: C/C=C/C1=CC2=C(CO1)C(=O)[C@]([C@@H](C2)O)(C)OC(=O)C3=C(C(=C(C=C3C)O)O)OC

  • Inchi: InChI=1S/C22H24O8/c1-5-6-13-8-12-9-16(24)22(3,20(26)14(12)10-29-13)30-21(27)17-11(2)7-15(23)18(25)19(17)28-4/h5-8,16,23-25H,9-10H2,1-4H3/b6-5+/t16-,22-/m1/s1

  • Inchikey: BVPLOPDDUJTCFL-JBAXFHHXSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C22H24O8

  • Molecular weight: 416.40

  • Monoisotopic mass: 416.14711772

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