LMPK12020158
  LIPID_MAPS_STRUCTURE_DATABASE

 25 28  0  0  0  0  0  0  0  0999 V2000
    6.4937    7.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4937    6.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1981    6.3357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9025    6.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9025    7.5557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1981    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    6.3357    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.3114    6.7422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3114    7.5557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6069    7.9624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0158    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7338    7.5478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4517    7.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4517    8.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7338    9.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0158    8.7914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6069    5.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0291    8.7580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2200    8.8431    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8893    8.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8134    9.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    9.5475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2200   10.2519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1981    5.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1028    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 24 25  1  0  0  0  0
  1  2  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
  9 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
  7 17  1  1  0  0  0
  6 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20  1  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
  3 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020158

> <COMMON_NAME>
Hildgardtol A

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H22O4

> <MASS>
338.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YSSBMAXDHVQWJV-SKQWJGTPSA-N

> <INCHI>
InChI=1S/C21H22O4/c1-12(2)16-9-14-18(24-16)11-19(23-3)20-15(22)10-17(25-21(14)20)13-7-5-4-6-8-13/h4-8,11,15-17,22H,1,9-10H2,2-3H3/t15-,16?,17+/m1/s1

> <SMILES>
C12OC(C(=C)C)CC=1C1O[C@H](C3C=CC=CC=3)C[C@@H](O)C=1C(OC)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676330

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$