LMPK12070160
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0  0  0  0  0  0  0  0999 V2000
    8.5515   -6.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5515   -7.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852   -8.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2191   -7.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2191   -6.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852   -6.1177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528   -8.0431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8865   -7.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8865   -6.5992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528   -6.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7200   -8.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7200   -9.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6115   -9.5869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5030   -9.0724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5030   -8.0429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6115   -7.5282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0528   -9.0721    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7178   -6.1177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3852   -5.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5515   -4.6736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7178   -5.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2364   -4.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7549   -5.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3367   -9.5536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6346   -8.8042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4803   -7.2322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4713   -8.4247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0     0  0
  2  3  2  0     0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  6  1  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  8 11  1  0     0  0
 11 12  1  0     0  0
 12 13  2  0     0  0
 13 14  1  0     0  0
 14 15  2  0     0  0
 15 16  1  0     0  0
 16 11  2  0     0  0
  7 17  1  0     0  0
  1  2  1  0     0  0
 18  1  1  0     0  0
 12 17  1  0     0  0
  6 19  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 21 18  1  0     0  0
 21 22  1  0     0  0
 21 23  1  0     0  0
 14 24  1  0     0  0
  8 26  1  6     0  0
  7 27  1  6     0  0
M  END
> <LM_ID>
LMPK12070160

> <COMMON_NAME>
ent-(-)-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-JXFKEZNVSA-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-/m0/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>
-

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49827

> <CITATION>
8069956

$$$$