LMPK12070022
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0  0  0  0            999 V2000
    8.9680   -6.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9680   -7.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7841   -7.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6004   -7.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6004   -6.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7841   -5.6350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4165   -7.5198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2326   -7.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2326   -6.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4165   -5.6350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0485   -7.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0485   -8.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9212   -9.0310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7939   -8.5273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7939   -7.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9212   -7.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4165   -8.5270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1519   -5.6350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7841   -4.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9680   -4.2214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1519   -4.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6806   -3.8766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2093   -4.6927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6100   -8.9984    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8805   -8.2648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8139   -6.7260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8473   -7.8933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  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  1  0  0  0  0
  1  2  1  0  0  0  0
 18  1  1  0  0  0  0
 12 17  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 18  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
  8 26  1  1     0  0
  7 27  1  1     0  0
M  END
> <LM_ID>
LMPK12070022

> <COMMON_NAME>
Hemileiocarpin

> <SYSTEMATIC_NAME>
(6aR,11aR)-6a,11a-Dihydro-9-methoxy-2,2-dimethyl-2H,6H-benzofuro[3,2-c]pyrano[2,3-h][1]benzopyran

> <FORMULA>
C21H20O4

> <MASS>
336.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Pterocarpans [PK1207]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LQTXWAQTXRQFQG-OXQOHEQNSA-N

> <INCHI>
InChI=1S/C21H20O4/c1-21(2)9-8-14-17(25-21)7-6-15-19(14)23-11-16-13-5-4-12(22-3)10-18(13)24-20(15)16/h4-10,16,20H,11H2,1-3H3/t16-,20-/m1/s1

> <SMILES>
C12OC(C)(C)C=CC=1C1OC[C@]3([H])C4=CC=C(OC)C=C4O[C@]3([H])C=1C=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22296199

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1265830

> <CITATION>
-

$$$$