24 27  0  0  0  0  0  0  0  0999 V2000
   28.4200  -18.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4200  -19.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6100  -20.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8700  -19.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8700  -18.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6100  -17.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2500  -19.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.2500  -18.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0600  -17.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5100  -20.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7000  -19.5300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7000  -18.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5100  -17.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2300  -20.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   36.8900  -20.2300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.1800  -16.5900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.6900  -15.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.2900  -15.2600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9400  -16.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3800  -14.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9800  -14.5600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5600  -15.8900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.5400  -16.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4600  -14.0700    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  1  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  5  9  1  0     0  0
  7 10  2  0     0  0
 10 11  1  0     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
  8 13  2  0     0  0
  2 14  1  0     0  0
 11 15  1  0     0  0
  9 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
  9 19  1  0     0  0
 18 20  2  0     0  0
 20 21  1  0     0  0
 21 22  2  0     0  0
 22 23  1  0     0  0
 19 23  2  0     0  0
 17 24  2  0     0  0
M  END
> <ID>
CHEBI:34914

> <NAME>
phenolphthalein

> <STAR>
2

> <SYNONYM>
phthalin; phthalimetten; Phenolphthalein; euchessina; 3,3-Bis(4-hydroxyphenyl)phthalide

> <FORMULA>
C20H14O4; C20H14O4

> <MASS>
318.324

> <MONOISOTOPIC_MASS>
318.08921

> <CHARGE>
0

> <SMILES>
Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1

> <INCHI>
InChI=1S/C20H14O4/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12,21-22H

> <INCHIKEY>
KJFMBFZCATUALV-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
77-09-8

> <KEGG_COMPOUND_ACCESSION>
C14286

> <KEGG_DRUG_ACCESSION>
D05456

> <LINCS_ACCESSION>
LSM-2432

$$$$