LMPK12010372
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.4083    9.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4083    8.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2897    7.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1709    8.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1709    9.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2897    9.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0523    7.6497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9336    8.1585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9336    9.1763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0523    9.6852    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8150    9.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7131    9.1667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6115    9.6852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6115   10.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7131   11.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8150   10.7223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5273    9.6848    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4928   11.2313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2897    6.6325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7755    7.6549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7131   12.2588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4928    9.1763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4233   12.6689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3871    9.6925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7053    7.9963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9526    6.5096    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2882    4.6911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0862    6.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1237    3.7347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4176    6.9186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3730    7.0871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9972    6.3410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6650    5.4319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7095    5.2634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3773    4.3541    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
  3 19  1  0  0  0  0
 20  8  1  0  0  0  0
 15 21  1  0  0  0  0
 13 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 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  0     0  0
 34 35  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
 30 20  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010372

> <COMMON_NAME>
Oenin

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

> <FORMULA>
C23H25O12

> <MASS>
493.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Malvidin 3-O-beta-D-glucopyranoside

> <INCHI_KEY>
PXUQTDZNOHRWLI-OXUVVOBNSA-O

> <INCHI>
InChI=1S/C23H24O12/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27)/p+1/t17-,19-,20+,21-,23-/m1/s1

> <SMILES>
C1(O)=CC2[O+]=C(C3C=C(OC)C(O)=C(OC)C=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>
C12140

> <HMDB_ID>
-

> <CHEBI_ID>
31799

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443652

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 140920

> <CITATION>
-

$$$$