LMPK12020153
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0     0  0            999 V2000
    9.3205    8.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3205    7.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1831    7.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0458    7.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0458    8.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1831    9.3486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9083    7.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7710    7.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7710    8.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9083    9.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    9.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5952    8.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5952    7.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    7.3565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.3486    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6336    9.3486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6336   10.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7710   10.8426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9083   10.3447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4959    8.8506    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3076    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8048    7.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7710   11.8385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4578    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4959   10.8425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3586   10.3443    0.0000 C   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  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  6  0  0  0
  6  1  1  0  0  0  0
  4  7  1  1  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  5 10  1  0  0  0  0
 11  1  1  0  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  2  1  0  0  0  0
 12 15  1  0  0  0  0
  9 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 10  1  0  0  0  0
 16 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
 18 23  1  0  0  0  0
 14 24  1  0  0  0  0
 17 25  1  0  0  0  0
 25 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020153

> <COMMON_NAME>
Elaeocyanidin

> <SYSTEMATIC_NAME>
(6aR)-5,6abeta,7,12abeta-Tetrahydro-5,5-dimethyl-3-methoxy[2]benzopyrano[4,3-b][1]benzopyran-2,4,8,10-tetrol

> <FORMULA>
C19H20O7

> <MASS>
360.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
UEYVPAAGIXRIKF-WMLDXEAASA-N

> <INCHI>
InChI=1S/C19H20O7/c1-19(2)15-10(6-12(22)18(24-3)16(15)23)17-14(26-19)7-9-11(21)4-8(20)5-13(9)25-17/h4-6,14,17,20-23H,7H2,1-3H3/t14-,17+/m0/s1

> <SMILES>
C12C=C(O)C=C(O)C=1C[C@@H]1OC(C)(C)C3C(O)=C(OC)C(O)=CC=3[C@H]1O2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21676388

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 123414

> <CITATION>
-

$$$$