11280715382D 1   1.00000     0.00000     0

 14 16  0     0  0            999 V2000
    5.2667   -1.0667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9792   -1.4792    0.0000 O   0  0  0  0  0  0           0  0  0
    4.5625   -1.4750    0.0000 C   0  0  0  0  0  0           0  0  0
    5.2750   -0.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7000   -1.0667    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8417   -1.0667    0.0000 C   0  0  0  0  0  0           0  0  0
    5.9875    0.1708    0.0000 C   0  0  0  0  0  0           0  0  0
    3.8542   -0.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    6.7000   -0.2417    0.0000 C   0  0  0  0  0  0           0  0  0
    4.5625    0.1750    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0542   -1.3167    0.0000 O   0  0  0  0  0  0           0  0  0
    2.5750   -0.6417    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0667    0.0208    0.0000 C   0  0  0  0  0  0           0  0  0
    7.4042   -1.4875    0.0000 O   0  0  0  0  0  0           0  0  0
  2  1  1  0     0  0
  3  1  1  0     0  0
  4  1  2  0     0  0
  5  2  1  0     0  0
  6  3  2  0     0  0
  7  4  1  0     0  0
  8 10  2  0     0  0
  9  7  2  0     0  0
 10  4  1  0     0  0
 11  6  1  0     0  0
 12 11  1  0     0  0
 13  8  1  0     0  0
 14  5  2  0     0  0
  6  8  1  0     0  0
  5  9  1  0     0  0
 13 12  2  0     0  0
M  END
> <ID>
CHEBI:27616

> <NAME>
psoralen

> <DEFINITION>
The simplest member of the class of psoralens that is 7H-furo[3,2-g]chromene having a keto group at position 7. It has been found in plants like  Psoralea corylifolia and Ficus salicifolia.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:378534; CHEBI:26368; CHEBI:8615

> <SYNONYM>
psoralene; psoralen; Psoralen; furocoumarin; furo[4',5':6,7]coumarin; furo[2',3':7,6]coumarin; Ficusin; 7H-furo[3,2-g][1]benzopyran-7-one; 6-hydroxy-5-benzofuranacrylic acid delta-lactone; 6,7-furanocoumarin; 3-(6-hydroxy-5-benzofuranyl)-2-propenoic acid delta-lactone

> <IUPAC_NAME>
7H-furo[3,2-g]chromen-7-one

> <BRAND_NAME>
Manaderm

> <FORMULA>
C11H6O3; C11H6O3

> <MASS>
186.16350

> <MONOISOTOPIC_MASS>
186.03169

> <CHARGE>
0

> <SMILES>
O=c1ccc2cc3ccoc3cc2o1

> <INCHI>
InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H

> <INCHIKEY>
ZCCUUQDIBDJBTK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
66-97-7

> <REAXYS_REGISTRY_NUMBER>
152784

> <CHEMIDPLUS>
66-97-7

> <KEGG_COMPOUND_ACCESSION>
C09305

> <KEGG_DRUG_ACCESSION>
D08450

> <KNAPSACK_ACCESSION>
C00000297

> <NIST_CHEMISTRY_WEBBOOK>
66-97-7

> <WIKIPEDIA_ACCESSION>
Psoralen

> <PUBMED_CITATION>
20196083; 21468912

$$$$