LMPK12010413
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.4305    9.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4305    8.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3256    7.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2206    8.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2206    9.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3256    9.7942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1156    7.7272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0106    8.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0106    9.2775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1156    9.7942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9054    9.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8173    9.2673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7296    9.7939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7296   10.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8173   11.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9054   10.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5359    9.7939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6414   11.3738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6869    7.6617    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8173   12.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6414    9.2675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3256    6.9724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0102    6.5773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5173    8.3133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9970    7.0536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6445    5.1473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2513    6.0761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6543    4.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4259    7.0343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3410    7.3601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0819    6.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9055    5.7747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9904    5.4489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8141    4.4957    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
  4  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  5  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
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
 19  8  1  0  0  0  0
 15 20  1  0  0  0  0
 13 21  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  1     0  0
 29 19  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010413

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Pulchellidin 3-glucoside

> <FORMULA>
C22H23O12

> <MASS>
479.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AXHJFMYMJAQWDM-QKYBYQKWSA-O

> <INCHI>
InChI=1S/C22H22O12/c1-31-13-4-9(24)5-14-10(13)6-15(21(32-14)8-2-11(25)17(27)12(26)3-8)33-22-20(30)19(29)18(28)16(7-23)34-22/h2-6,16,18-20,22-23,28-30H,7H2,1H3,(H3-,24,25,26,27)/p+1/t16-,18-,19+,20-,22-/m1/s1

> <SMILES>
C1(O)=CC2[O+]=C(C3C=C(O)C(O)=C(O)C=3)C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)=CC=2C(OC)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257018

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 481018

> <CITATION>
-

$$$$