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atrovenetin

  • Formula: C19H18O6

  • Molecular weight: 342.30

  • Smiles: CC1C(C2=C(C3=C4C(=C2O1)C(=CC(=O)C4=C(C(=C3O)O)O)C)O)(C)C

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atrovenetin

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

Names

  • Mycotoxin name: atrovenetin

  • First synonym: None

  • Synonyms: Atrovenetin,ATROVENETIN, (R)-,5-DEOXYNORHERQUEINONE,ATROVENETIN, (+)-,2582-86-7,DEHYDROXY-5-NORHERQUEINONE,51L66L2L4F,(9R)-8,9-DIHYDRO-4,5,6,7-TETRAHYDROXY-1,8,8,9-TETRAMETHYL-3H-PHENALENO(1,2-B)FURAN-3-ONE,3H-PHENALENO(1,2-B)FURAN-3-ONE, 8,9-DIHYDRO-4,5,6,7-TETRAHYDROXY-1,8,8,9-TETRAMETHYL-, (9R)-,(9R)-8,9-Dihydro-4,5,6,7-tetrahydroxy-1,8,8,9-tetramethyl-3H-phenaleno[1,2-b]furan-3-one,Spectrum_001720,KBioSS_002200,KBio2_002200,KBio2_004768,KBio2_007336,DTXSID80948719,4,5,6,7-Tetrahydroxy-1,8,8,9-tetramethyl-8,9-dihydro-3H-phenaleno[1,2-b]furan-3-one

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Structure

  • Smiles: CC1C(C2=C(C3=C4C(=C2O1)C(=CC(=O)C4=C(C(=C3O)O)O)C)O)(C)C

  • Isomeric smiles: C[C@@H]1C(C2=C(C3=C4C(=C2O1)C(=CC(=O)C4=C(C(=C3O)O)O)C)O)(C)C

  • Inchi: InChI=1S/C19H18O6/c1-6-5-8(20)10-11-9(6)18-13(19(3,4)7(2)25-18)14(21)12(11)16(23)17(24)15(10)22/h5,7,21-24H,1-4H3/t7-/m1/s1

  • Inchikey: BTQBPLOITIIODY-SSDOTTSWSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C19H18O6

  • Molecular weight: 342.30

  • Monoisotopic mass: 342.11033829

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