LMPK12020273
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   10.4296    9.7079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4275    8.6894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3086    8.1784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1937    8.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1937    9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3126   10.2154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0727    8.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9557    8.6822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9578    9.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0767   10.2118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8400   10.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7294    9.6964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6187   10.2100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6187   11.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7294   11.7503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8400   11.2369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3025    7.1775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5476   10.2172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7294   12.7689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5008   11.7461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6796    9.7160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4121   13.1631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3113   11.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3090    5.2042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5987    4.2167    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8936    5.2040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5985    7.1788    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1409    6.5400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4565    6.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4565    5.6979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5985    5.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    5.6977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7461    6.6850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8936    7.1787    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  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
 17  3  1  0  0  0  0
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 14 20  1  0  0  0  0
 18 21  1  0  0  0  0
 19 22  1  0  0  0  0
 20 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 29 17  1  1     0  0
M  END
> <LM_ID>
LMPK12020273

> <COMMON_NAME>
Dichotosinin

> <SYSTEMATIC_NAME>
5-Hydroxy-7,3',4'-trimethoxyflavan 5-O-beta-glucoside

> <FORMULA>
C24H30O10

> <MASS>
478.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UQVHQQQKJXHPAP-JYYYJSNHSA-N

> <INCHI>
InChI=1S/C24H30O10/c1-29-13-9-17-14(5-7-15(32-17)12-4-6-16(30-2)19(8-12)31-3)18(10-13)33-24-23(28)22(27)21(26)20(11-25)34-24/h4,6,8-10,15,20-28H,5,7,11H2,1-3H3/t15?,20-,21-,22+,23-,24-/m1/s1

> <SMILES>
C1(OC)C=C2OC(C3C=C(OC)C(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>
44257199

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 84897

> <CITATION>
-

$$$$