LMPK12010233
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    7.9887    8.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9887    7.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8114    7.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6343    7.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6343    8.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8114    9.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4572    7.4006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2800    7.8756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2800    8.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4572    9.3008    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1187    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9574    8.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7960    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7960   10.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9574   10.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1187   10.2785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4532    7.3309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1660    9.3007    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6347   10.7628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8114    6.4508    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9574   11.7310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7084   12.1645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6626    5.5773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7486    3.6528    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6296    3.4852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9341    6.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1428    4.2107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9985    6.3703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6032    5.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1437    4.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0843    4.4458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4796    5.3225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4201    5.2387    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
 17  8  1  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 21 22  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 28  1  0     0  0
 28 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  1     0  0
 28 17  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010233

> <COMMON_NAME>
Oxycoccicyanin

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-(beta-D-glucopyranosyloxy)-1-benzopyrylium

> <FORMULA>
C22H23O11

> <MASS>
463.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Peonidin 3-O-beta-D-glucopyranoside;Glucopeonidin; Peonidin 3-glucoside

> <INCHI_KEY>
ZZWPMFROUHHAKY-OUUKCGNVSA-O

> <INCHI>
InChI=1S/C22H22O11/c1-30-15-4-9(2-3-12(15)25)21-16(7-11-13(26)5-10(24)6-14(11)31-21)32-22-20(29)19(28)18(27)17(8-23)33-22/h2-7,17-20,22-23,27-29H,8H2,1H3,(H2-,24,25,26)/p+1/t17-,18-,19+,20-,22-/m1/s1

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

> <KEGG_ID>
C12141

> <HMDB_ID>
HMDB0013689

> <CHEBI_ID>
74793

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443654

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 180765

> <CITATION>
-

$$$$