LMPK12020111
  LIPID_MAPS_STRUCTURE_DATABASE

 22 24  0     0  0            999 V2000
    7.5749    8.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5749    7.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4171    7.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2594    7.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2594    8.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4171    8.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1017    7.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9438    7.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9438    8.4921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1017    8.9783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.9783    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4171    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7860    7.0331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7860    8.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6379    8.4864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4900    8.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4900    9.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6379   10.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7860    9.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3323   10.4485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6379   11.4265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9923   12.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 21 22  1  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
  3 12  1  0  0  0  0
  8 13  1  6  0  0  0
  9 14  1  6  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 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 18 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020111

> <COMMON_NAME>
Symplocosidin

> <SYSTEMATIC_NAME>
(2R,3R)-3,5,7,4'-Tetrahydroxy-3'-methoxyflavan

> <FORMULA>
C16H16O6

> <MASS>
304.09

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NJHJXXLBWQXMRO-CZUORRHYSA-N

> <INCHI>
InChI=1S/C16H16O6/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16/h2-6,13,16-20H,7H2,1H3/t13-,16-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0029175

> <CHEBI_ID>
70254

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11420256

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 335935

> <CITATION>
-

$$$$