LMPK12050280
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    7.5707    9.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5707    8.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4090    7.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2473    8.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2473    9.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4090    9.5490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0856    7.6130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9239    8.0970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9239    9.0648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0856    9.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7619    7.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7619    6.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6583    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5547    6.5781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5547    7.6131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6583    8.1305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0856    6.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.5487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4090    6.6453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4500    6.0611    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3236    8.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9027    9.2511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8734    9.1429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4197   10.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4516   10.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9037   11.0402    0.0000 C   0  0  0  0  0  0  0  0  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  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
  1  2  1  0  0  0  0
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 16  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
M  END
> <LM_ID>
LMPK12050280

> <COMMON_NAME>
Crotarin

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H16O6

> <MASS>
352.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YAWLWHBWDHQRRT-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H16O6/c1-9(2)16-7-12-14(22)4-3-11(20(12)26-16)13-8-25-17-6-10(21)5-15(23)18(17)19(13)24/h3-6,8,16,21-23H,1,7H2,2H3

> <SMILES>
C1(O)C=C(O)C2C(=O)C(C3=C4OC(C(=C)C)CC4=C(O)C=C3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5491742

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 890033

> <CITATION>
-

$$$$