Ketcher 02171712412D 1   1.00000     0.00000     0

 12 13  0     0  0            999 V2000
   18.4658  -23.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4658  -22.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5998  -23.7882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5998  -21.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7338  -23.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1979  -23.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3319  -23.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3319  -21.7881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0638  -23.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8678  -23.7882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7338  -22.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1979  -22.2882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0     0  0
  4  2  2  0     0  0
  5  3  1  0     0  0
 11  4  1  0     0  0
 11  5  2  0     0  0
 12  6  1  0     0  0
  7  6  1  0     0  0
  8 12  2  0     0  0
  1  7  1  0     0  0
  2  8  1  0     0  0
  2  1  1  0     0  0
  9  6  2  0     0  0
 10  5  1  0     0  0
M  END
> <ID>
CHEBI:27510

> <NAME>
umbelliferone

> <DEFINITION>
A hydroxycoumarin that is coumarin substituted by a hydroxy group ay position 7.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:9858; CHEBI:27187; CHEBI:27188

> <SYNONYM>
umbelliferone; Umbelliferone; skimmetin; hydrangin; beta-umbelliferone; 7-Hydroxycoumarin; 7-hydroxy-2H-1-benzopyran-2-one

> <IUPAC_NAME>
7-hydroxy-2H-chromen-2-one

> <FORMULA>
C9H6O3

> <MASS>
162.142

> <MONOISOTOPIC_MASS>
162.03169

> <CHARGE>
0

> <SMILES>
C12=CC(=CC=C2C=CC(O1)=O)O

> <INCHI>
InChI=1S/C9H6O3/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5,10H

> <INCHIKEY>
ORHBXUUXSCNDEV-UHFFFAOYSA-N

> <BEILSTEIN_REGISTRY_NUMBER>
127683

> <CAS_REGISTRY_NUMBER>
93-35-6

> <GMELIN_REGISTRY_NUMBER>
1220112

> <CHEMIDPLUS>
93-35-6

> <KEGG_COMPOUND_ACCESSION>
C09315

> <KNAPSACK_ACCESSION>
C00002503

> <LINCS_ACCESSION>
LSM-3960

> <NIST_CHEMISTRY_WEBBOOK>
93-35-6

$$$$