LMPK12020154
  LIPID_MAPS_STRUCTURE_DATABASE

 21 24  0  0  0  0  0  0  0  0999 V2000
    7.6979    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6979    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4125    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1270    5.6600    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1270    6.4850    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4125    6.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8414    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5559    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5559    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8414    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    6.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9834    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.8975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2704    6.8975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2704    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5559    8.1351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8414    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5559    8.9598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    8.1350    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
 18 20  1  0  0  0  0
 17 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020154

> <COMMON_NAME>
Peltogynan

> <SYSTEMATIC_NAME>


> <FORMULA>
C16H14O5

> <MASS>
286.08

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RKLUSMDAKQQQRH-JKSUJKDBSA-N

> <INCHI>
InChI=1S/C16H14O5/c17-10-2-1-8-4-15-16(21-14(8)5-10)11-6-13(19)12(18)3-9(11)7-20-15/h1-3,5-6,15-19H,4,7H2/t15-,16+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178316

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257129

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$