LMPK12080008
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.5973   10.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5973    9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4317    9.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2660    9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2660   10.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4317   11.0368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1004    9.1099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349   10.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1004   11.0368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7995    9.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7995    8.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6916    7.5472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5837    8.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5837    9.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6916    9.6077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4483    7.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327   11.0544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6916    6.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4483    9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9475    8.7271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4483   10.5900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4467    9.5917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3130   11.0892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    7.5633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9349    6.3259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 25 26  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
  1  2  1  0  0  0  0
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
 13 19  1  0  0  0  0
 15 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 22 24  2  0  0  0  0
 12 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080008

> <COMMON_NAME>
alpha,alpha-dimethylallylcyclolobin

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H24O5

> <MASS>
356.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MJNMCRGAYOIQTB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H24O5/c1-5-21(2,3)16-10-15(20(25-4)19(24)18(16)23)13-8-12-6-7-14(22)9-17(12)26-11-13/h5-7,9-10,13,22-24H,1,8,11H2,2-4H3

> <SMILES>
C1(O)C=CC2CC(C3=CC(C(C)(C=C)C)=C(O)C(O)=C3OC)COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
196316

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676181

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 54884

> <CITATION>
-

$$$$