LMPK12020268
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.2341    6.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2341    6.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9138    5.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5935    6.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5935    6.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9138    7.3545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2731    5.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9528    6.1773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9528    6.9621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2731    7.3545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6325    7.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3253    6.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0179    7.3544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0179    8.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3253    8.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6325    8.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.3544    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9138    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3253    9.3391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3834    9.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6976    8.5468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7557    7.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 19 20  1  0  0  0  0
 21 22  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
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020268

> <COMMON_NAME>
Diffutidin

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H18O5

> <MASS>
302.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NMMYBAVYBMEWOL-AWEZNQCLSA-N

> <INCHI>
InChI=1S/C17H18O5/c1-20-15-5-3-10(7-17(15)21-2)14-6-4-12-13(19)8-11(18)9-16(12)22-14/h3,5,7-9,14,18-19H,4,6H2,1-2H3/t14-/m0/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=C(OC)C(OC)=CC=3)CCC=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
185728

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257194

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$