LMPK12060043
  LIPID_MAPS_STRUCTURE_DATABASE

 32 36  0     0  0            999 V2000
    7.8326   10.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8326    9.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6682    9.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5038    9.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5038   10.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6682   11.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3393    9.1924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750    9.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750   10.6396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3393   11.1222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0102    9.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0102    8.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9036    7.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7970    8.1609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7970    9.1925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9036    9.7083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3393    8.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9442   10.6396    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0105   11.1222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1750    8.7100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676   12.0660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5080   12.1669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156   11.2854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0255   13.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5080   13.8380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   13.0025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0105   12.0870    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6682    8.2277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9036    6.6804    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9768    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6327    7.6786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9335    8.4296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 29 30  1  0  0  0  0
 31 32  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
  7 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19  9  1  0  0  0  0
  8 20  1  0  0  0  0
  1  2  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23  1  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 19 27  1  0  0  0  0
  3 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060043

> <COMMON_NAME>
Villol

> <SYSTEMATIC_NAME>
(2R)-1,2,12,12aalpha-Tetrahydro-5,6aalpha,12alpha-trihydroxy-8,9-dimethoxy-2alpha-(1-methylvinyl)[1]benzopyrano[3,4-b]furo[2,3-h][1]benzopyran-6(6aH)-one

> <FORMULA>
C23H22O9

> <MASS>
442.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
6,12a-Dihydroxysumatrol

> <INCHI_KEY>
CDZUQIFWCXAIFB-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H22O9/c1-9(2)13-5-10-14(30-13)7-12(24)18-19(10)32-21-22(26)31-15-8-17(29-4)16(28-3)6-11(15)23(21,27)20(18)25/h6-8,13,21-22,24,26-27H,1,5H2,2-4H3

> <SMILES>
C12OC(C(C)=C)CC=1C1OC3C(O)OC4=C(C=C(OC)C(OC)=C4)C3(O)C(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257414

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 62125

> <CITATION>
-

$$$$