LMPK12020025
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    5.8394    2.6520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7485    2.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9237    3.9223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1877    4.5505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2786    4.2269    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1053    3.2751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4826    2.3524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8327    4.2461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3629    5.4974    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267    3.8371    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446    4.8501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7324    6.8814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1670    8.3954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446    7.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4315    8.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3183    7.9053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3183    6.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4315    6.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5446    6.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855    6.8814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    6.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651    5.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7855    4.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267    6.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9061    6.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9061    5.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267    4.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471    5.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1471    6.3734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  7  1  6     0  0
  3  8  1  1     0  0
  4  9  1  6     0  0
  5 11  1  1     0  0
  2  1  1  0     0  0
  3  2  1  0     0  0
  4  3  1  0     0  0
  5  4  1  0     0  0
  6  5  1  0     0  0
  1  6  1  0     0  0
 27 10  1  0  0  0  0
 22 11  1  6  0  0  0
 29 12  1  0  0  0  0
 13 16  1  0  0  0  0
 14 19  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 21 19  1  1  0  0  0
 20 25  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 26 23  1  0  0  0  0
 24 29  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
M  END
> <LM_ID>
LMPK12020025

> <COMMON_NAME>
Arthromerin A

> <SYSTEMATIC_NAME>
Afzelechin-3-O-beta-D-xylopyranoside

> <FORMULA>
C20H22O9

> <MASS>
406.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PNKDYHXWXNUKQK-AZQPHWPRSA-N

> <INCHI>
InChI=1S/C20H22O9/c21-10-3-1-9(2-4-10)19-16(29-20-18(26)17(25)14(24)8-27-20)7-12-13(23)5-11(22)6-15(12)28-19/h1-6,14,16-26H,7-8H2/t14-,16-,17+,18-,19+,20+/m1/s1

> <SMILES>
C1O[C@H]([C@@H]([C@H]([C@@H]1O)O)O)O[C@@H]1CC2=C(C=C(C=C2O[C@H]1C1=CC=C(C=C1)O)O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257056

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1190828

> <CITATION>
-

$$$$