LMPK12050027
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    7.5722   12.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5722   11.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4120   11.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2516   11.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2516   12.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4120   12.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914   11.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9310   11.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9310   12.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914   12.9573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7704   11.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7704    9.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6682    9.4634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5660    9.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5660   11.0184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6682   11.5367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0914   10.0489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4638    9.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.9573    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6682    8.4277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5632    7.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5632    6.8774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6682    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4584    6.3606    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
  8 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 18 14  1  0  0  0  0
  1 19  1  0  0  0  0
 13 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12050027

> <COMMON_NAME>
Neobavaisoflavone

> <SYSTEMATIC_NAME>
7-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one

> <FORMULA>
C20H18O4

> <MASS>
322.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OBGPEBYHGIUFBN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H18O4/c1-12(2)3-4-14-9-13(5-8-18(14)22)17-11-24-19-10-15(21)6-7-16(19)20(17)23/h3,5-11,21-22H,4H2,1-2H3

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66614

> <ABBREVIATION>
-

> <CAYMAN_ID>
19852

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5320053

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1977555

> <CITATION>
7964799

$$$$