LMPK12060024
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0     0  0            999 V2000
    8.1030   10.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1030    9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9306    9.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7584    9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7584   10.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9306   11.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5860    9.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4134    9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4134   10.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5860   11.2494    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2410    9.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0688    9.8160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0688   10.7715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2410   11.2494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2410    8.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0688    7.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8964    8.3825    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8964    9.3381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5860    8.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6807   12.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7158   12.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3695   11.3312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8882   12.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8882   13.6666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.2330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7158   13.1888    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4134   11.7272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4134    8.8603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9306    8.3825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7241    7.9047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7241    6.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0688    6.9489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5300    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 30 31  1  0  0  0  0
 32 33  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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  1  0  0  0  0
 14  9  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 12  1  0  0  0  0
  7 19  2  0  0  0  0
  6 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  1  1  0  0  0  0
 21 23  1  1  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
 21 26  1  6  0  0  0
  9 27  1  1  0  0  0
  8 28  1  1  0  0  0
  3 29  1  0  0  0  0
 17 30  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12060024

> <COMMON_NAME>
Sumatrol

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

> <FORMULA>
C23H22O7

> <MASS>
410.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Rotenoid flavonoids [PK1206]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZPEHYKMRUBEPSQ-XMCHAPAWSA-N

> <INCHI>
InChI=1S/C23H22O7/c1-10(2)14-6-12-16(29-14)7-13(24)21-22(25)20-11-5-17(26-3)18(27-4)8-15(11)28-9-19(20)30-23(12)21/h5,7-8,14,19-20,24H,1,6,9H2,2-4H3/t14-,19-,20+/m1/s1

> <SMILES>
C12O[C@@]([H])(C(=C)C)CC1=C1O[C@]3([H])COC4C=C(OC)C(OC)=CC=4[C@]3([H])C(=O)C1=C(O)C=2

> <KEGG_ID>
C10532

> <HMDB_ID>
-

> <CHEBI_ID>
9358

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442824

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 53864

> <CITATION>
-

$$$$