LMPK12020272
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   10.3616    9.7024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3596    8.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2421    8.1701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1288    8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1288    9.6989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2463   10.2108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0093    8.1665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8941    8.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8960    9.6953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0135   10.2072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7797   10.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6706    9.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5615   10.2053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5615   11.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6706   11.7484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7797   11.2341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2360    7.1674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4779   10.2125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4452   11.7443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7907    9.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2383   11.2864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5480    5.3181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6021    4.9892    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3491    6.5080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6340    7.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1097    8.0215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2655    7.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9215    6.0775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9459    5.9139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3196    6.6733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6636    7.5979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0371    8.3573    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  1  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
  9 11  1  6  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
 17  3  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 27 17  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12020272

> <COMMON_NAME>
Dichotosin

> <SYSTEMATIC_NAME>
5-Hydroxy-7,4'-dimethoxyflavan 5-O-glucoside

> <FORMULA>
C23H28O9

> <MASS>
448.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MPDDNOZYQCUCDA-MYFLWUJOSA-N

> <INCHI>
InChI=1S/C23H28O9/c1-28-13-5-3-12(4-6-13)16-8-7-15-17(30-16)9-14(29-2)10-18(15)31-23-22(27)21(26)20(25)19(11-24)32-23/h3-6,9-10,16,19-27H,7-8,11H2,1-2H3/t16-,19+,20+,21-,22+,23+/m0/s1

> <SMILES>
C1(OC)C=C2O[C@H](C3C=CC(OC)=CC=3)CCC2=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257198

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 84897

> <CITATION>
-

$$$$