LMPK12010095
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    7.6036    8.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6036    7.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4583    7.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3131    7.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3131    8.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4583    9.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1681    7.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0229    7.8564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0229    8.8434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1681    9.3370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8774    9.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7488    8.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6198    9.3367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6198   10.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7488   10.8457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8774   10.3428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4908   10.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7490    9.3367    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4583    6.3761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9087    7.1953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7488   11.8515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7329    8.0303    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3685    6.8677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1774    4.8749    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6322    5.6149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2615    3.6146    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7253    6.6164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6374    7.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4564    6.4500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3609    5.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4488    5.0362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3533    4.0399    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
 14 17  1  0  0  0  0
  1 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  0  0  0  0
 15 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 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  0     0  0
 31 32  1  1     0  0
 27 20  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  1     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010095

> <COMMON_NAME>
Idaein

> <SYSTEMATIC_NAME>
2-(3,4-Dihydroxyphenyl)-3-(beta-D-galactopyranosyloxy)-5,7-dihydroxy-1-benzopyrylium

> <FORMULA>
C21H21O11

> <MASS>
449.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Cyanidin 3-O-galactoside; Cyanidin 3-galactoside

> <INCHI_KEY>
RKWHWFONKJEUEF-WVXKDWSHSA-O

> <INCHI>
InChI=1S/C21H20O11/c22-7-16-17(27)18(28)19(29)21(32-16)31-15-6-10-12(25)4-9(23)5-14(10)30-20(15)8-1-2-11(24)13(26)3-8/h1-6,16-19,21-22,27-29H,7H2,(H3-,23,24,25,26)/p+1/t16-,17+,18+,19-,21-/m1/s1

> <SMILES>
C1(O)=CC2[O+]=C(C3C=C(O)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>
C08647

> <HMDB_ID>
HMDB0037977

> <CHEBI_ID>
27475

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441699

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 164435

> <CITATION>
-

$$$$