LMPK12050004
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5836    9.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5836    8.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4350    7.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2864    8.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2864    9.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4350    9.9032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    7.9371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9892    8.4287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9892    9.4117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    9.9032    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.9031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8403    7.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8403    6.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7506    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6609    6.8862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6609    7.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7506    8.4628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1378    6.9544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8403    9.9031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4350   10.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5840   11.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2862   11.3774    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
  9 19  1  0  0  0  0
  6 20  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050004

> <COMMON_NAME>
Glyzarin

> <SYSTEMATIC_NAME>
8-Acetyloxy-7-hydroxy-2-methylisoflavone

> <FORMULA>
C18H14O4

> <MASS>
294.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KTCOGEGNUCOCON-UHFFFAOYSA-N

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

> <SMILES>
C1(O)=C(C(C)=O)C2OC(C)=C(C3C=CC=CC=3)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029534

> <CHEBI_ID>
174784

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257206

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
-

$$$$