LMPK12080037
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0  0  0  0            999 V2000
    9.3891   -6.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3891   -7.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2363   -7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0833   -7.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0833   -6.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2363   -5.6044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9304   -7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7776   -7.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7776   -6.0935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9304   -5.6044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6247   -7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6247   -8.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5304   -9.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4363   -8.6067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4363   -7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5304   -7.0379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5422   -5.6047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7776   -9.0958    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2363   -4.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3891   -4.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5422   -4.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0531   -3.7792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5640   -4.6264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4307   -8.9300    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0455   -8.0838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4307   -7.2377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5420   -7.5609    0.0000 O   0  0  0  0  0  0  0  0  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  6  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
 12 18  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 17  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
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 15  1  0  0  0  0
  2 27  1  0  0  0  0
M  END
> <LM_ID>
LMPK12080037

> <COMMON_NAME>
Leiocinol

> <SYSTEMATIC_NAME>
(S)-3,4-Dihydro-3-(6-hydroxy-1,3-benzodioxol-5-yl)-8,8-dimethyl-2H,8H-benzo[1,2-b:3,4-b']dipyran-6-ol

> <FORMULA>
C21H20O6

> <MASS>
368.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavans [PK1208]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HBYGTSDXCJSMRY-GFCCVEGCSA-N

> <INCHI>
InChI=1S/C21H20O6/c1-21(2)4-3-13-19-11(6-16(23)20(13)27-21)5-12(9-24-19)14-7-17-18(8-15(14)22)26-10-25-17/h3-4,6-8,12,22-23H,5,9-10H2,1-2H3/t12-/m1/s1

> <SMILES>
C12OC(C)(C)C=CC=1C1OC[C@H](C3C=C4OCOC4=CC=3O)CC=1C=C2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
22217320

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1265830

> <CITATION>
-

$$$$