LMPK12050003
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    8.4540    9.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4540    8.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3175    7.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1809    8.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1809    9.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3175    9.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0443    7.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9077    8.4579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9077    9.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0443    9.9533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5909    9.9532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7709    7.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7709    6.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6940    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6173    6.8936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6173    7.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6940    8.4926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0443    6.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8258    9.5114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.9531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8259    8.6279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7709    9.9532    0.0000 C   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
  7 18  2  0  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
  9 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050003

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7-Acetyloxy-2-methylisoflavone

> <FORMULA>
C18H14O4

> <MASS>
294.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DPIAJERHFDBLPT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H14O4/c1-11-17(13-6-4-3-5-7-13)18(20)15-9-8-14(22-12(2)19)10-16(15)21-11/h3-10H,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029364

> <CHEBI_ID>
174783

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
268208

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
-

$$$$