LMPK12160027
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0     0  0            999 V2000
    8.9908   10.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9908    9.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8258    9.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6608    9.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6608   10.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8258   10.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4960    9.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3310    9.5054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3310   10.4696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4960   10.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1660    9.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1660    7.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0589    7.4768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9517    7.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9517    9.0233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0589    9.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1660   10.9517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0737   10.7675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5069    9.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0737    9.2073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2733    6.4684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2985    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7179    7.3024    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5428    9.9874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.8224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4960    8.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5685    7.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8258    8.0589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8983    7.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 27 28  1  0  0  0  0
 29 30  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  2  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
  8 11  1  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 16  1  0  0  0  0
 16 11  2  0  0  0  0
  1  2  1  0  0  0  0
  9 17  2  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  2  1  0  0  0  0
 13 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 14  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
  7 27  1  0  0  0  0
  3 29  1  0  0  0  0
M  END
> <LM_ID>
LMPK12160027

> <COMMON_NAME>
Glabrescin

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H20O7

> <MASS>
408.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Other Flavonoids [PK1216]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DEYPZCRLBDIJTO-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C23H20O7/c1-11(2)15-8-13-16(29-15)9-18-20(21(13)25-3)22(26-4)19(23(24)30-18)12-5-6-14-17(7-12)28-10-27-14/h5-7,9,15H,1,8,10H2,2-4H3

> <SMILES>
C12OC(C(C)=C)CC1=C(OC)C1C(OC)=C(C3=CC=C4OCOC4=C3)C(=O)OC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44260105

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1582218

> <CITATION>
-

$$$$