LMPK12080005
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.3194   10.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3194    9.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0066    8.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6937    9.3017    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6937   10.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0066   10.4919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3809    8.9050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0681    9.3017    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0681   10.0951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3809   10.4919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7550    8.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7550    8.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4897    7.6325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2243    8.0567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2243    8.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4897    9.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   10.5368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4897   10.1768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6660    6.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5098    6.7140    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8548    7.4891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9335    5.9800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5107    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7794    5.9800    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  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  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
 17  1  1  0  0  0  0
 16 18  1  0  0  0  0
 13 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 14  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080005

> <COMMON_NAME>
Crotmarine

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H20O4

> <MASS>
324.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QSBNBPUPUBDYQE-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H20O4/c1-11(2)18-7-13-6-16(17(22)9-20(13)24-18)14-5-12-3-4-15(21)8-19(12)23-10-14/h3-4,6,8-9,14,18,21-22H,1,5,7,10H2,2H3

> <SMILES>
C1(O)=CC2OCC(C3C(O)=CC4OC(C(C)=C)CC=4C=3)CC=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
185186

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$