Marvin  03081315022D          

 17 18  0  0  0  0            999 V2000
   11.6624  -24.8702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9458  -25.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6899  -24.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3792  -25.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2291  -24.8942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9251  -26.1081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3482  -23.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9286  -23.6529    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1336  -24.8463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5364  -25.3092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1129  -24.0198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7717  -24.9216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7993  -24.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1134  -25.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0791  -23.7044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3453  -24.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659  -24.1262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  2  5  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  2  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
  9 11  2  0  0  0  0
 16 17  1  0  0  0  0
M  END
> <ID>
CHEBI:27916

> <NAME>
2'-hydroxychalcone

> <DEFINITION>
A member of the class of chalcones that is trans-chalcone substituted by a hydroxy group at position 2'.

> <STAR>
3

> <SECONDARY_ID>
CHEBI:840; CHEBI:19265

> <SYNONYM>
2'-Hydroxychalcone

> <IUPAC_NAME>
(2E)-1-(2-hydroxyphenyl)-3-phenylprop-2-en-1-one

> <FORMULA>
C15H12O2

> <MASS>
224.25460

> <MONOISOTOPIC_MASS>
224.08373

> <CHARGE>
0

> <SMILES>
Oc1ccccc1C(=O)\C=C\c1ccccc1

> <INCHI>
InChI=1S/C15H12O2/c16-14-9-5-4-8-13(14)15(17)11-10-12-6-2-1-3-7-12/h1-11,16H/b11-10+

> <INCHIKEY>
AETKQQBRKSELEL-ZHACJKMWSA-N

> <CAS_REGISTRY_NUMBER>
888-12-0

> <REAXYS_REGISTRY_NUMBER>
1911344

> <CHEMIDPLUS>
888-12-0

> <KEGG_COMPOUND_ACCESSION>
C09321

> <PUBMED_CITATION>
10953045; 1453084; 18961699; 20957597; 23427769

$$$$