LMPK12010094
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
   12.8524    7.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7598    7.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7598    8.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8524    9.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9448    8.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9448    7.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6675    7.0422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5750    7.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5750    8.6141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6675    9.1381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4395    9.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3072    8.6122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1748    9.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1748   10.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3072   10.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4395   10.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8909   10.5285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2026    9.0428    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8524    6.3063    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4244    7.0758    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1883    7.0309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4386    6.0373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7085    7.0554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4598    9.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9513    8.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3303    8.5459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3232    7.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4455    7.0432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5807    7.5523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5878    8.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7228    9.0673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  2  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  3  1  0  0  0  0
  9 11  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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
 14 17  1  0  0  0  0
  5 18  1  0  0  0  0
  1 19  1  0  0  0  0
  8 20  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  1     0  0
 26 18  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010094

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Pelargonidin 7-glucoside

> <FORMULA>
C21H21O10

> <MASS>
433.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GERSXJCNRVUQDS-GQUPQBGVSA-O

> <INCHI>
InChI=1S/C21H20O10/c22-8-16-17(26)18(27)19(28)21(31-16)29-11-5-13(24)12-7-14(25)20(30-15(12)6-11)9-1-3-10(23)4-2-9/h1-7,16-19,21-22,26-28H,8H2,(H2-,23,24,25)/p+1/t16-,17-,18+,19-,21-/m1/s1

> <SMILES>
C1(O)=CC(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2[O+]=C(C3C=CC(O)=CC=3)C(O)=CC1=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178335796

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3629

> <CITATION>
-

$$$$