LMPK12112824
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    7.6874   11.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6874   10.7246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5214   10.2431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3556   10.7249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3556   11.6880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5214   12.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898   10.2432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0240   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0238   11.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1897   12.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1898    9.2617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8577   12.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7078   11.6786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5580   12.1695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5580   13.1510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7081   13.6419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8578   13.1511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1281   10.0878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4081   13.6416    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8372   10.2338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8372   12.1785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5214    9.2615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.7300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0864   10.6674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8463    8.8717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1294   10.0737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1179    8.3331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1050    6.6120    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1158    8.3542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7455    5.8587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6223    9.2202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6229    9.2131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1173    8.3400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6108    7.4796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6102    7.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1037    6.6261    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
 15 19  1  0  0  0  0
  2 20  1  0  0  0  0
  1 21  1  0  0  0  0
  3 22  1  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 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  6     0  0
M  END
> <LM_ID>
LMPK12112824

> <COMMON_NAME>
Candidol 3-glucoside

> <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>
TVDROQRLBHIUHW-HPCJZBTHSA-N

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

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259737

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$