LMPK12020054
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
    8.2960   10.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2960    9.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1669    9.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378    9.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0378   10.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1669   11.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9085    9.2687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7795    9.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7795   10.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9085   11.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6504   11.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5284   10.7729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4066   11.2799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4066   12.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5284   12.8008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6504   12.2939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2471   12.7791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4251   11.2799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6504    9.2687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1669    8.2655    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5284   13.8135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8628    7.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8973    7.0918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5295    7.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3328    8.0437    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8628    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8973    6.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8628    7.5438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2562    8.3483    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
  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
  1 18  1  0  0  0  0
  8 19  1  1  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 25 24  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 23 27  1  1  0  0  0
 24 28  1  6  0  0  0
 25 20  1  1  0  0  0
 23 29  1  1  0  0  0
 29 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020054

> <COMMON_NAME>
Catechin 5-O-beta-D-apiofuranoside

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

> <FORMULA>
C20H22O10

> <MASS>
422.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CQLVDGMTYYDVHM-YAVHWGEVSA-N

> <INCHI>
InChI=1S/C20H22O10/c21-7-20(27)8-28-19(18(20)26)30-16-5-10(22)4-15-11(16)6-14(25)17(29-15)9-1-2-12(23)13(24)3-9/h1-5,14,17-19,21-27H,6-8H2/t14-,17+,18-,19-,20+/m0/s1

> <SMILES>
C1(O)C=C2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](O)CC2=C(O[C@@H]2OC[C@@](CO)(O)[C@H]2O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257080

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1297873

> <CITATION>
-

$$$$