LMPK12112816
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    7.6597   12.0488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6667   11.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4943   10.6277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3148   11.1096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3077   12.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4802   12.5308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1423   10.6401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9628   11.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9556   12.0733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1282   12.5429    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1480    9.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7760   12.5550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6192   12.0762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4557   12.5675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4485   13.5371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6048   14.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7687   13.5246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287   10.3139    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4943    9.6582    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8269   10.6127    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2843   14.0281    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8199   12.5338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1486   11.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0001   13.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7365    9.4554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8968    7.4600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2515    6.3282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1849    8.7477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7011    6.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0099    9.3188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9139    8.8895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9928    7.8892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1703    7.3233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2663    7.7527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4437    7.1867    0.0000 C   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  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
 18  8  1  0  0  0  0
  3 19  1  0  0  0  0
  2 20  1  0  0  0  0
 15 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 20 24  1  0  0  0  0
 21 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  1     0  0
 31 18  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  1     0  0
M  END
> <LM_ID>
LMPK12112816

> <COMMON_NAME>
Mikanin 3-galactoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H26O12

> <MASS>
506.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BRNFEHVTCPLRQY-MUTRJVMUSA-N

> <INCHI>
InChI=1S/C24H26O12/c1-31-11-6-4-10(5-7-11)21-23(36-24-20(30)19(29)16(26)14(9-25)35-24)18(28)15-12(34-21)8-13(32-2)22(33-3)17(15)27/h4-8,14,16,19-20,24-27,29-30H,9H2,1-3H3/t14-,16+,19+,20-,24+/m1/s1

> <SMILES>
C1(OC)=CC2OC(C3C=CC(OC)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259729

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$