LMPK12112031
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0     0  0            999 V2000
   13.6933    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6933    7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5595    7.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4258    7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4258    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5595    9.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2919    9.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270    9.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9607    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9607    7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270    7.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1581    8.5612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0244    9.0613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0244   10.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1581   10.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2919   10.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5595    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8907   10.5618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2919    7.0608    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0944    9.0613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.7570   10.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270   10.0617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9607   10.5618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9607   11.5620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0944   12.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270   12.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9607   12.5623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270   13.0624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5627    7.1318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6256    6.6275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2253    8.0513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4230    9.5219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8496    9.5595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1284    8.8085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8626    7.8438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8913    7.5922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1913    8.3042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4571    9.2689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7570    9.9808    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  5  7  1  0  0  0  0
  1  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  2  1  0  0  0  0
  7 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  7  1  0  0  0  0
  3 17  2  0  0  0  0
 14 19  1  0  0  0  0
 11 18  1  0  0  0  0
  9 21  1  0  0  0  0
  4 20  1  0  0  0  0
 19 22  1  0  0  0  0
  8 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  1  0  0  0  0
 34 40  1  0     0  0
 39 33  1  0     0  0
 33 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  1     0  0
 35 21  1  1     0  0
 36 30  1  6     0  0
 37 31  1  1     0  0
 38 32  1  6     0  0
M  END
> <LM_ID>
LMPK12112031

> <COMMON_NAME>
Caohuoside D

> <SYSTEMATIC_NAME>


> <FORMULA>
C28H34O12

> <MASS>
562.21

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
8-(3''-Hydroxy-3''-methylbutyl)kaempferol 4'-methyl ether 7-glucoside

> <INCHI_KEY>
IINPFAXRBBMPBJ-WPKKLUCLSA-N

> <INCHI>
InChI=1S/C28H34O12/c1-28(2,37-4)10-9-15-17(38-27-24(35)22(33)20(31)18(12-29)39-27)11-16(30)19-21(32)23(34)25(40-26(15)19)13-5-7-14(36-3)8-6-13/h5-8,11,18,20,22,24,27,29-31,33-35H,9-10,12H2,1-4H3/t18-,20-,22+,24-,27-/m1/s1

> <SMILES>
C12C(CCC(OC)(C)C)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=C(O)C=1C(=O)C(O)=C(C1C=CC(OC)=CC=1)O2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163104421

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$