Ketcher 06021515412D 1   1.00000     0.00000     0

 20 22  0     0  0            999 V2000
   19.3046  -21.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3088  -20.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1705  -21.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4429  -21.5039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1788  -19.5057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4429  -19.5016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0363  -21.0127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1663  -22.5071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5728  -21.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4471  -22.5031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.0406  -20.0095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5728  -20.0011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9106  -19.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7111  -19.5016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.7764  -20.0219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9147  -18.5108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6382  -19.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7848  -18.0196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6424  -18.5191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8477  -19.9980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  3  7  1  0     0  0
  3  8  2  0     0  0
  4  9  2  0     0  0
  4 10  1  0     0  0
  5 11  1  0     0  0
  6 12  2  0     0  0
 11 13  1  0     0  0
 12 14  1  0     0  0
 13 15  2  0     0  0
 13 16  1  0     0  0
 15 17  1  0     0  0
 16 18  2  0     0  0
 17 19  2  0     0  0
  7 11  2  0     0  0
  9 12  1  0     0  0
 18 19  1  0     0  0
 14 20  1  0     0  0
M  END
> <ID>
CHEBI:9426

> <NAME>
tectochrysin

> <DEFINITION>
A monohydroxyflavone that is  flavone substituted by a hydroxy group at position 4 and a methoxy group at position 7 respectively.

> <STAR>
3

> <SYNONYM>
5-hydroxy-7-methoxyflavone

> <IUPAC_NAME>
5-hydroxy-7-methoxy-2-phenyl-4H-1-benzopyran-4-one

> <FORMULA>
C16H12O4

> <MASS>
268.26410

> <MONOISOTOPIC_MASS>
268.07356

> <CHARGE>
0

> <SMILES>
COc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1

> <INCHI>
InChI=1S/C16H12O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-9,17H,1H3

> <INCHIKEY>
IRZVHDLBAYNPCT-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
520-28-5

> <REAXYS_REGISTRY_NUMBER>
254083

> <CHEMIDPLUS>
520-28-5

> <KEGG_COMPOUND_ACCESSION>
C11621

> <KNAPSACK_ACCESSION>
C00003795

> <LIPID_MAPS_INSTANCE_ACCESSION>
LMPK12110190

> <NIST_CHEMISTRY_WEBBOOK>
520-28-5

> <WIKIPEDIA_ACCESSION>
Techtochrysin

> <PUBMED_CITATION>
23583435; 24727421; 25083589

$$$$