LMPK12020078
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.9578    8.8915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2557    8.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2557    7.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6598    7.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6598    8.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3620    7.2701    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0641    7.6754    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.0641    8.4860    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3620    8.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8704    9.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5935    8.6837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3167    9.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3166    9.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5935   10.3537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8704    9.9362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.8910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9578    7.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0391   10.3534    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9578    6.4603    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3620    6.4603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0632    6.0555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7629    6.4594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0632    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7652    7.2706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5935   11.1880    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
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  5  1  0  0  0  0
  8 10  1  6  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  2 16  1  0  0  0  0
  3 17  2  0  0  0  0
 17  4  1  0  0  0  0
 13 18  1  0  0  0  0
 17 19  1  0  0  0  0
  6 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
  7 24  1  6  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020078

> <COMMON_NAME>
Dryopteric acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H16O8

> <MASS>
348.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
SBSHGFDVQPIUCS-SZQIBGDISA-N

> <INCHI>
InChI=1S/C17H16O8/c18-8-4-12(21)15-9(6-14(22)23)16(24)17(25-13(15)5-8)7-1-2-10(19)11(20)3-7/h1-5,9,16-21,24H,6H2,(H,22,23)/t9-,16+,17+/m0/s1

> <SMILES>
C1C2O[C@H](C3C=C(O)C(O)=CC=3)[C@H](O)[C@@H](CC(O)=O)C=2C(O)=CC=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178336

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11393902

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$