LMPK12120311
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0  0  0  0  0  0  0  0999 V2000
    5.8873    7.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8873    6.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5815    5.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2757    6.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2757    7.0038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5815    7.4045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699    5.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6642    6.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3581    5.8014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0521    6.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    5.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4523    6.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4523    7.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7522    7.4147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0521    7.0105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9699    5.1757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5815    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9697    7.4044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    7.4046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930    8.6526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1465    7.4114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0381    6.8966    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  2  0  0  0  0
  9 10  1  0  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
  7 16  2  0  0  0  0
  3 17  1  0  0  0  0
  5 18  1  0  0  0  0
 13 21  1  0  0  0  0
  1 19  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120311

> <COMMON_NAME>
Gymnogrammene

> <SYSTEMATIC_NAME>


> <FORMULA>
C17H16O5

> <MASS>
300.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NXHNEWMDVUHUCV-VMPITWQZSA-N

> <INCHI>
InChI=1S/C17H16O5/c1-21-12-6-3-11(4-7-12)5-8-14(18)17-15(19)9-13(22-2)10-16(17)20/h3-10,19-20H,1-2H3/b8-5+

> <SMILES>
C1(OC)=CC(O)=C(C(=O)/C=C/C2C=CC(OC)=CC=2)C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6438580

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$