LMPK12020144
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
   10.3174   10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3174    9.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2037    8.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0902    9.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0902   10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2037   10.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9768    8.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8633    9.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8633   10.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9768   10.9041    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500   10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6438   10.3882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5376   10.9042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5376   11.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6439   12.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500   11.9364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4242   12.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7500    8.8568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2037    7.8354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6439   13.4761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4306   10.9042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4242   10.3923    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6921   10.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2979   13.8539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1580   10.8159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6753    5.9175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7497    5.4162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3579    6.8315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5423    8.2932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9844    8.3306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2436    7.5841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9793    6.6252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0138    6.3751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3181    7.0828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5823    8.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8864    8.7493    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 14  1  0  0  0  0
  8 18  1  1  0  0  0
  3 19  1  0  0  0  0
 15 20  1  0  0  0  0
  1 21  1  0  0  0  0
 13 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 19  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>
LMPK12020144

> <COMMON_NAME>
Plumerubroside

> <SYSTEMATIC_NAME>
(2R)-5-(beta-D-Glucopyranosyloxy)-7-methoxy-2alpha-(4-hydroxy-3,5-dimethoxyphenyl)-3,4-dihydro-2H-1-benzopyran-3beta-ol

> <FORMULA>
C24H30O12

> <MASS>
510.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
IBKHAIJVZGYPDV-MTGIANMYSA-N

> <INCHI>
InChI=1S/C24H30O12/c1-31-11-6-14-12(15(7-11)35-24-22(30)21(29)20(28)18(9-25)36-24)8-13(26)23(34-14)10-4-16(32-2)19(27)17(5-10)33-3/h4-7,13,18,20-30H,8-9H2,1-3H3/t13-,18+,20+,21-,22+,23+,24+/m0/s1

> <SMILES>
C1(OC)C=C2O[C@H](C3C=C(OC)C(O)=C(OC)C=3)[C@@H](O)CC2=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>
14757896

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 62097

> <CITATION>
-

$$$$