LMPK12111448
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.7469    7.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7446    6.6324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4267    6.2358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1109    6.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1133    7.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4312    7.8138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941    6.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4773    6.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4796    7.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7976    7.8097    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7941    5.4450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1629    7.8078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8590    7.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5554    7.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5578    8.6076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8627    9.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1653    8.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4312    8.6027    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4267    5.4469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3501    5.9491    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8567    5.0715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8276    9.3490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8253    9.5250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0636    7.0269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 20 21  1  0  0  0  0
 22 23  1  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  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  6 18  1  0  0  0  0
  3 19  1  0  0  0  0
  2 20  1  0  0  0  0
 15 22  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111448

> <COMMON_NAME>
Pedunculin

> <SYSTEMATIC_NAME>


> <FORMULA>
C18H16O7

> <MASS>
344.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZNLSNAZJVYNXLN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C18H16O7/c1-22-10-6-4-9(5-7-10)12-8-11(19)13-14(20)17(23-2)18(24-3)15(21)16(13)25-12/h4-8,20-21H,1-3H3

> <SMILES>
C1(OC)=C(O)C2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
192704

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3083783

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$