LMPK13090058
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0     0  0            999 V2000
   11.7698   11.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7698   10.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6358    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5018   10.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5018   11.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6358   11.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3679    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2339   10.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0999    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0999    8.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9659    8.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8320    8.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8320    9.5678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9659   10.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6358   12.5678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9038    9.5678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6979    8.0678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6980   10.0678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3958   11.9436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3695   12.2771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.6404   10.7367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.3229    9.4633    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8833    9.2015    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6823   10.2355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0312   11.1733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0208   11.3393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6561   10.5690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3072    9.6312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9426    8.8609    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  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14  9  2  0  0  0  0
  6 15  1  0  0  0  0
  2 16  1  0  0  0  0
 12 17  1  0  0  0  0
 13 18  1  0     0  0
 23 29  1  0     0  0
 28 22  1  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  1     0  0
 24 18  1  1     0  0
 25 19  1  6     0  0
 26 20  1  1     0  0
 27 21  1  6     0  0
M  END
> <LM_ID>
LMPK13090058

> <COMMON_NAME>
Piceatannol 3'-O-glucoside

> <SYSTEMATIC_NAME>
3,5,3'4'-Trihydroxystilbene-3'-O-beta-D-glucopyranoside

> <FORMULA>
C20H22O9

> <MASS>
406.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Aromatic polyketides [PK13]

> <SUB_CLASS>
Diphenyl ethers, biphenyls, dibenzyls and stilbenes [PK1309]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UMGCIIXWEFTPOC-CUYWLFDKSA-N

> <INCHI>
InChI=1S/C20H22O9/c21-9-16-17(25)18(26)19(27)20(29-16)28-15-7-10(3-4-14(15)24)1-2-11-5-12(22)8-13(23)6-11/h1-8,16-27H,9H2/b2-1+/t16-,17-,18+,19-,20-/m1/s1

> <SMILES>
C1=C(O)C=C(/C=C/C2=CC(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=C(O)C=C2)C=C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11968990

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
29760

> <CITATION>
9599270

$$$$