LMPK12020223
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0     0  0            999 V2000
    8.8381    8.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8381    7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860    7.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5339    7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5339    8.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860    9.2978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3818    7.3397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2296    7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2296    8.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3818    9.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9903    9.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1424    8.8082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1424    7.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9903    7.3397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0775    9.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0775   10.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2296   10.7663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3818   10.2767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2296   11.7453    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9254   10.7663    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6860    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    9.2978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946   10.2978    0.0000 C   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
  9 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 10  1  0  0  0  0
 17 19  1  0  0  0  0
 16 20  1  0  0  0  0
  3 21  1  6  0  0  0
 12 22  1  0  0  0  0
 22 23  1  0     0  0
M  END
> <LM_ID>
LMPK12020223

> <COMMON_NAME>
7-O-Methylpeltogynol

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H16O6

> <MASS>
316.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ITTMSOHPADBFBP-ZACQAIPSSA-N

> <INCHI>
InChI=1S/C17H16O6/c1-21-9-2-3-10-14(5-9)23-16-11-6-13(19)12(18)4-8(11)7-22-17(16)15(10)20/h2-6,15-20H,7H2,1H3/t15-,16-,17+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
190117

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257171

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 162874

> <CITATION>
-

$$$$