LMPK12020019
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.5880   11.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880   10.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338   10.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   10.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2792   11.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4338   12.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248   10.4558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9702   10.9439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9702   11.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1248   12.4085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.4141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8256   12.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6809   11.9203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5363   12.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5363   13.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6809   13.8957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8256   13.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6809   14.8832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8256   10.4501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3915   13.8957    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3915   11.9203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8256    9.4625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9702    8.9687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6809    8.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6809    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6166    7.3481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5523    7.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5523    8.9687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6166    9.5088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6166    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4075    7.3945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4075    9.4625    0.0000 O   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
  1 11  1  0  0  0  0
  9 12  1  6  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
 16 18  1  0  0  0  0
  8 19  1  1  0  0  0
 15 20  1  0  0  0  0
 14 21  1  0  0  0  0
 19 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 24  1  0  0  0  0
 26 30  1  0  0  0  0
 27 31  1  0  0  0  0
 28 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020019

> <COMMON_NAME>
Robinetinidol 3-O-gallate

> <SYSTEMATIC_NAME>
(2R,3S)-3,7,3',4',5'-Pentahydroxyflavan 3-O-gallate

> <FORMULA>
C22H18O10

> <MASS>
442.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WIEMUOLZHSVGFK-GHTZIAJQSA-N

> <INCHI>
InChI=1S/C22H18O10/c23-12-2-1-9-7-18(32-22(30)11-5-15(26)20(29)16(27)6-11)21(31-17(9)8-12)10-3-13(24)19(28)14(25)4-10/h1-6,8,18,21,23-29H,7H2/t18-,21+/m0/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=C(O)C(O)=C(O)C=3)[C@@H](OC(C3C=C(O)C(O)=C(O)C=3)=O)CC2=CC=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14463111

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 191880

> <CITATION>
-

$$$$