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Cis-4-hydroxymellein

  • Formula: C10H10O4

  • Molecular weight: 194.18

  • Smiles: CC1C(C2=C(C(=CC=C2)O)C(=O)O1)O

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Cis-4-hydroxymellein

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

  • Mycotoxin name: Cis-4-hydroxymellein

  • First synonym: Cis-4-hydroxymellein

  • Synonyms: cis-4-Hydroxymellein,UNII-YJ8535DF71,YJ8535DF71,4-Hydroxymellein, cis-,(3R,4R)-hydroxymellein,cis-4-Hydroxymellein, (-)-,CHEMBL444818,(3R,4R)-cis-4-Hydroxymellein,cis-(3R,4R)-4-Hydroxymellein,Q27294545,Isocoumarin, 3,4-dihydro-4,8-dihydroxy-3-methyl-, cis-,1H-2-Benzopyran-1-one, 3,4-dihydro-4,8-dihydroxy-3-methyl-, (3R,4R)-,1H-2-Benzopyran-1-one, 3,4-dihydro-4,8-dihydroxy-3-methyl-, (3R-cis)-,32885-83-9

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Structure

  • Smiles: CC1C(C2=C(C(=CC=C2)O)C(=O)O1)O

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

  • Inchi: InChI=1S/C10H10O4/c1-5-9(12)6-3-2-4-7(11)8(6)10(13)14-5/h2-5,9,11-12H,1H3/t5-,9+/m1/s1

  • Inchikey: STSOHAOGZMLWFR-ANLVUFKYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C10H10O4

  • Molecular weight: 194.18

  • Monoisotopic mass: 194.0579088

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