LMPK12070039
  LIPID_MAPS_STRUCTURE_DATABASE

 25 30  0  0  0  0  0  0  0  0999 V2000
    6.1885    7.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1885    6.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8573    6.2385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5260    6.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5260    7.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8573    7.7829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1948    6.2385    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8636    6.6244    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8636    7.3967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1948    7.7829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5322    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5322    5.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2472    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9622    5.4129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9622    6.2386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2472    6.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1948    5.4131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4539    7.6354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4539    6.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7475    5.1576    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2329    5.8257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7475    6.4937    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8573    8.5553    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8983    9.1564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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  1  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  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 11  2  0  0  0  0
  7 17  1  0  0  0  0
  1  2  1  0  0  0  0
 12 17  1  0  0  0  0
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20  2  1  0  0  0  0
 14 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 15  1  0  0  0  0
  6 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12070039

> <COMMON_NAME>
Ficinin

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H14O6

> <MASS>
338.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
4-Methoxyneodulin 

> <INCHI_KEY>
HWVHWRJPBZQEMD-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C19H14O6/c1-20-19-16-9(2-3-21-16)4-11-17-12(7-22-18(11)19)10-5-14-15(24-8-23-14)6-13(10)25-17/h2-6,12,17H,7-8H2,1H3

> <SMILES>
C12OC=CC1=CC1C3OC4=CC5OCOC=5C=C4C3COC=1C=2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257446

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$