LMPK12080017
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0  0  0  0  0  0  0  0999 V2000
    6.5046    7.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046    6.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2030    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9013    6.6965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9013    7.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2030    7.9062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2981    6.6965    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2981    7.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5997    7.9062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9964    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9964    5.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7431    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4898    5.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4898    6.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7431    6.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8065    7.9060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2981    5.0279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2030    8.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5046    9.1158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8065    8.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4032    9.4109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.7126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3097    5.1646    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8165    5.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3097    6.5597    0.0000 O   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  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
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 12 18  1  0  0  0  0
  6 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 14 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080017

> <COMMON_NAME>
Leiocin

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H20O5

> <MASS>
352.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ADVVUFYZTDQZLS-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O5/c1-21(2)6-5-14-17(26-21)4-3-12-7-13(10-23-20(12)14)15-8-18-19(9-16(15)22)25-11-24-18/h3-6,8-9,13,22H,7,10-11H2,1-2H3

> <SMILES>
C12OC(C)(C)C=CC=1C1OCC(C3C=C4OCOC4=CC=3O)CC=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
630752

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$