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6-Hydroxymellein

  • Formula: C10H10O4

  • Molecular weight: 194.18

  • Smiles: CC1CC2=C(C(=CC(=C2)O)O)C(=O)O1

  • Type: Isocoumarin

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6-Hydroxymellein

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

Names

  • Mycotoxin name: 6-Hydroxymellein

  • First synonym: None

  • Synonyms: 6-Hydroxymellein,(R)-6-hydroxymellein,70901-60-9,UNII-PUH8Z0Q805,(R)-(-)-6-hydroxymellein,3,4-Dihydro-6,8-dihydroxy-3-methylisocoumarin,6,8-Dihydroxy-3-methyl-3,4-dihydroisocoumarin,(3R)-6,8-dihydroxy-3-methyl-3,4-dihydroisochromen-1-one,PUH8Z0Q805,(-)-6-Hydroxymellein,(3R)-3,4-dihydro-6,8-dihydroxy-3-methyl-isocoumarin,CHEBI:16368,6,8-dihydroxy-3-methyl-isochroman-1-one,(3R)-6,8-dihydroxy-3-methyl-3,4-dihydro-1H-isochromen-1-one,(R)-3,4-dihydro-6,8-dihydroxy-3-methyl-1H-2-benzopyran-1-one,3,4-dihydro-6,8-dihydroxy-3-methyl-isocoumarin,1H-2-Benzopyran-1-one, 3,4-dihydro-6,8-dihydroxy-3-methyl-, (R)-,6-Hydroxy-mellein,MLS004257370,SCHEMBL638027,DTXSID90991190,SMR003082503,C02379,6,8-Dihydroxy-3-methyl-3,4-dihydro-1H-2-benzopyran-1-one

Identifiers / External links

Structure

  • Smiles: CC1CC2=C(C(=CC(=C2)O)O)C(=O)O1

  • Isomeric smiles: C[C@@H]1CC2=C(C(=CC(=C2)O)O)C(=O)O1

  • Inchi: InChI=1S/C10H10O4/c1-5-2-6-3-7(11)4-8(12)9(6)10(13)14-5/h3-5,11-12H,2H2,1H3/t5-/m1/s1

  • Inchikey: DHLPMLVSBRRUGA-RXMQYKEDSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C10H10O4

  • Molecular weight: 194.18

  • Monoisotopic mass: 194.0579088

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