LMPK12020224
  LIPID_MAPS_STRUCTURE_DATABASE

 22 25  0     0  0            999 V2000
    9.3364    8.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3364    7.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2045    7.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0725    7.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0725    8.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2045    9.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9405    7.3068    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8085    7.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8085    8.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9405    9.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685    9.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6005    8.8101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6005    7.8079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4685    7.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    9.3113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6764    9.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6764   10.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8085   10.8147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9405   10.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5441   10.8145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2045    6.3602    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5441    8.8105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  6  0  0  0
 11  1  1  0  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  2  1  0  0  0  0
 12 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 10  1  0  0  0  0
 17 20  1  0  0  0  0
  3 21  1  6  0  0  0
 16 22  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020224

> <COMMON_NAME>
Mopanan-4alpha-ol

> <SYSTEMATIC_NAME>
(6aS,7R,12aR)-5,6a,7,12a-tetrahydroisochromeno(4,3-b)chromene-3,4,7,10-tetrol

> <FORMULA>
C16H14O6

> <MASS>
302.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AQPFFYOIRKEBDI-OAGGEKHMSA-N

> <INCHI>
InChI=1S/C16H14O6/c17-7-1-2-9-12(5-7)22-15-8-3-4-11(18)13(19)10(8)6-21-16(15)14(9)20/h1-5,14-20H,6H2/t14-,15-,16+/m1/s1

> <SMILES>
C12C=C(O)C=CC=1[C@@H](O)[C@@H]1OCC3C(O)=C(O)C=CC=3[C@H]1O2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11335647

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 162715

> <CITATION>
-

$$$$