LMPK12120108
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
    7.2314    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2314    6.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9481    5.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6647    6.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6647    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9481    7.4821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3813    5.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0979    6.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8143    5.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5307    6.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2534    5.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9760    6.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9760    7.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2534    7.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5307    7.0754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3813    5.1814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9481    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    7.4821    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982    7.0683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7982    6.2409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    5.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3635    7.8212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.8545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7697    5.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2601    6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7697    7.3332    0.0000 O   0  0  0  0  0  0  0  0  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
  1 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21  2  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 12 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 13  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120108

> <COMMON_NAME>
Glabrachromene II

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H18O5

> <MASS>
350.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WKEIAFLNVZWDKU-ZZXKWVIFSA-N

> <INCHI>
InChI=1S/C21H18O5/c1-21(2)10-9-15-17(26-21)8-5-14(20(15)23)16(22)6-3-13-4-7-18-19(11-13)25-12-24-18/h3-11,23H,12H2,1-2H3/b6-3+

> <SMILES>
C12OC(C)(C)C=CC1=C(O)C(C(=O)/C=C/C1C=CC3OCOC=3C=1)=CC=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6442711

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$