LMPK12020027
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    3.4027    3.3666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9706    4.1634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9466    4.0710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5145    4.8676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1065    5.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1304    5.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9636    2.5627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5621    5.0523    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3550    3.1819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4907    4.7753    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6744    6.5588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2220    5.7356    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221    6.7435    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5281    8.7645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3312   10.2708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221    9.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6045   10.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4868    9.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4868    8.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6045    8.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7221    8.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9720    8.7645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8471    8.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8471    7.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9720    6.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2220    8.7645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971    8.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0971    7.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2220    6.7435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6530    7.2489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6530    8.2591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  9  1  6     0  0
  4 10  1  1     0  0
  5 11  1  6     0  0
  6 13  1  1     0  0
  2  1  1  1     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
  8  6  1  0     0  0
  2  8  1  0     0  0
  7  1  1  0     0  0
 29 12  1  0  0  0  0
 24 13  1  6  0  0  0
 31 14  1  0  0  0  0
 15 18  1  0  0  0  0
 16 21  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
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 23 21  1  1  0  0  0
 22 27  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 28 25  1  0  0  0  0
 26 31  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
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
M  END
> <LM_ID>
LMPK12020027

> <COMMON_NAME>
Arthromerin B

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

> <FORMULA>
C21H24O10

> <MASS>
436.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XWMNERHJDTUVJN-WSRGUFLPSA-N

> <INCHI>
InChI=1S/C21H24O10/c22-8-16-17(26)18(27)19(28)21(31-16)30-15-7-12-13(25)5-11(24)6-14(12)29-20(15)9-1-3-10(23)4-2-9/h1-6,15-28H,7-8H2/t15-,16-,17-,18+,19-,20+,21-/m1/s1

> <SMILES>
C(O)[C@H]1O[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>
44257058

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1190828

> <CITATION>
-

$$$$