LMPK12050001
  LIPID_MAPS_STRUCTURE_DATABASE

 19 21  0     0  0            999 V2000
    7.5816    9.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5816    8.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4309    7.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2803    8.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2803    9.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4309    9.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1295    7.9332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9788    8.4237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9788    9.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1295    9.8946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.8945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8278    7.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8278    6.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7359    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6439    6.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6439    7.9335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7359    8.4577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8278    9.8945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1295    6.9530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  1 11  1  0  0  0  0
  8 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  9 18  1  0  0  0  0
  7 19  2  0  0  0  0
M  END
> <LM_ID>
LMPK12050001

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7-Hydroxy-2-methylisoflavone

> <FORMULA>
C16H12O3

> <MASS>
252.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BBCDTCKKROIGAB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C16H12O3/c1-10-15(11-5-3-2-4-6-11)16(18)13-8-7-12(17)9-14(13)19-10/h2-9,17H,1H3

> <SMILES>
C1(O)=CC2OC(C)=C(C3C=CC=CC=3)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0033979

> <CHEBI_ID>
174321

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5380976

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
-

$$$$