LMPK12120124
  LIPID_MAPS_STRUCTURE_DATABASE

 39 41  0  0  0  0  0  0  0  0999 V2000
   10.9092    8.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9092    7.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6227    7.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3363    7.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3363    8.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6227    8.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0498    7.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0498    6.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7633    7.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7633    8.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4769    8.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1903    8.5432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9039    8.9551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9039    9.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1903   10.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4769    9.7791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6175   10.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1903    7.7193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6227    6.4834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1956    8.9551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1956    7.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1956    6.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4821    6.0714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4821    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7686    6.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0550    6.0714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3415    6.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6280    6.0714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3415    7.3073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6280    7.7193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6273    8.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3467    8.9586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3467    9.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6306   10.2022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9108    9.7867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9108    8.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6306   11.0301    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930   10.2010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1930   11.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  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
 14 17  1  0  0  0  0
 12 18  1  0  0  0  0
  3 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
 34 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <LM_ID>
LMPK12120124

> <COMMON_NAME>
Gemichalcone C

> <SYSTEMATIC_NAME>
3'-(4-Feruloyloxy-3-methylbutyl-2(Z)-enyl)-2,4,2',4'-tetrahydroxychalcone

> <FORMULA>
C30H28O9

> <MASS>
532.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
OFKHJNZDWNKYOY-DBLNWHOKSA-N

> <INCHI>
InChI=1S/C30H28O9/c1-18(17-39-29(36)14-5-19-4-11-26(34)28(15-19)38-2)3-9-22-25(33)13-10-23(30(22)37)24(32)12-7-20-6-8-21(31)16-27(20)35/h3-8,10-16,31,33-35,37H,9,17H2,1-2H3/b12-7+,14-5+,18-3-

> <SMILES>
C1(O)C=CC(C(/C=C/C2C=CC(O)=CC=2O)=O)=C(O)C=1C/C=C(\COC(/C=C/C1C=C(OC)C(O)=CC=1)=O)/C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
192467

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10626094

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$