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Comazaphilone d

  • Formula: C21H22O7

  • Molecular weight: 386.40

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

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Comazaphilone d

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

Names

  • Mycotoxin name: Comazaphilone d

  • First synonym: Comazaphilone d

  • Synonyms: Comazaphilone D,CHEBI:70013,MLS005941364,CHEMBL1689198,SMR004614078,Q27138354,(6R,7R)-7-Hydroxy-7-methyl-8-oxo-3-[prop-1-en-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-6-yl 2,4-dihydroxy-6-methylbenzoate,[(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(E)-prop-1-enyl]-5,6-dihydro-1H-isochromen-6-yl] 2,4-dihydroxy-6-methyl-benzoate,rel-(6R,7R)-7-hydroxy-7-methyl-8-oxo-3-[(1E)-prop-1-en-1-yl]-5,6,7,8-tetrahydro-1H-isochromen-6-yl 2,4-dihydroxy-6-methylbenzoate

Identifiers / External links

Structure

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

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

  • Inchi: InChI=1S/C21H22O7/c1-4-5-14-7-12-8-17(21(3,26)19(24)15(12)10-27-14)28-20(25)18-11(2)6-13(22)9-16(18)23/h4-7,9,17,22-23,26H,8,10H2,1-3H3/b5-4+/t17-,21-/m1/s1

  • Inchikey: GIROBNCADSJPIJ-OQBWYENPSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C21H22O7

  • Molecular weight: 386.40

  • Monoisotopic mass: 386.13655304

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