Ketcher 10311914352D 1   1.00000     0.00000     0

 14 15  0     0  0            999 V2000
   22.4381   -6.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.0362   -7.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0362   -8.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9022   -6.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1702   -6.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9022   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1702   -8.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7682   -7.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3041   -7.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.7682   -8.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.9022   -9.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3041   -8.0905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6342   -6.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4381   -8.5905    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0     0  0
  2  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  5  9  2  0     0  0
  6 10  2  0     0  0
  6 11  1  0     0  0
  7 12  2  0     0  0
  8 13  2  0     0  0
  9  1  1  0     0  0
  8 10  1  0     0  0
  9 12  1  0     0  0
 12 14  1  0     0  0
M  END
> <ID>
CHEBI:145256

> <NAME>
6,7-dihydroxy-4-methylcoumarin

> <DEFINITION>
A hydroxycoumarin that is 4-methylcuomarin which is substituted by hydroxy groups at positions 3 and 4. A hyaluronan synthesis inhibitor. It has also been used as a fluorescent sensor to monitor the consumption of a boronic acid in Suzuki coupling reactions; fluorescence is readily detectable by the naked eye using a standard 365 nm UV lamp.

> <STAR>
3

> <SYNONYM>
methylesculetin; 6,7-dihydroxy-4-methylchromen-2-one; 6,7-dihydroxy-4-methyl-2H-benzopyran-2-one; 6,7-dihydroxy-4-methyl-2H-1-benzopyran-2-one; 4-methylesculetol; 4-methylesculetin; 4-methylaesculetin; 4-methyl-6,7-dihydroxycoumarin

> <IUPAC_NAME>
6,7-dihydroxy-4-methyl-2H-chromen-2-one

> <FORMULA>
C10H8O4

> <MASS>
192.170

> <MONOISOTOPIC_MASS>
192.04226

> <CHARGE>
0

> <SMILES>
OC1=CC2=C(C(=CC(O2)=O)C)C=C1O

> <INCHI>
InChI=1S/C10H8O4/c1-5-2-10(13)14-9-4-8(12)7(11)3-6(5)9/h2-4,11-12H,1H3

> <INCHIKEY>
KVOJTUXGYQVLAJ-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
529-84-0

> <CHEMIDPLUS>
529-84-0

> <PUBMED_CITATION>
17354230; 20380826; 21530605; 22119283; 23047850; 23485680; 23744425; 25424619; 25854527; 26071545; 2868641; 29217385; 29698774; 3004169; 3937451; 508424; 597417; 597443; 597444; 603704; 603706; 6411101; 6626341; 6626355; 7347133

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