LMPK12160010
  LIPID_MAPS_STRUCTURE_DATABASE

 31 35  0     0  0            999 V2000
    8.6071    9.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6071    8.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4459    7.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2848    8.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2848    9.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4459    9.5511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    7.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625    8.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9625    9.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    9.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8011    7.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8011    6.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6979    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5948    6.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5948    7.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6979    8.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1236    6.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4908    6.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7076    9.0670    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4459    6.6458    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7682    9.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294    9.0670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294    8.0983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7682    7.6140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4622    9.8761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    8.8341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4459   10.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2845   11.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2845   11.9699    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1212   12.4530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4477   12.4530    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  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
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
  9 19  1  0  0  0  0
 19 16  1  0  0  0  0
  3 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24  2  1  0  0  0  0
 22 25  1  0  0  0  0
 22 26  1  0  0  0  0
  6 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160010

> <COMMON_NAME>
Millettin

> <SYSTEMATIC_NAME>
5,9-Dihydroxy-2,2-dimethyl-13-(3-methyl-2-butenyl)-2H,6H-benzofuro[2,3-b]pyrano[3,2-g][1]benzopyran-6-one

> <FORMULA>
C25H22O6

> <MASS>
418.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZRHZEZGNBCGSBJ-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H22O6/c1-12(2)5-7-16-22-15(9-10-25(3,4)31-22)20(27)19-21(28)18-14-8-6-13(26)11-17(14)29-24(18)30-23(16)19/h5-6,8-11,26-27H,7H2,1-4H3

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C1C(=O)C3C4=C(OC=3OC=1C=2C/C=C(\C)/C)C=C(O)C=C4

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
157189

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53625

> <CITATION>
-

$$$$