LMPK12010420
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    7.5620   11.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5620   10.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    9.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3662   10.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3662   11.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641   11.6414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2683    9.5581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1705   10.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1705   11.1206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2683   11.6414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7805   11.5717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0113   11.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9135   11.0852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8157   11.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8157   12.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9135   13.1687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0113   12.6478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6163   13.1100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4641    8.5163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9957    9.6023    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6468   11.1260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9135   14.0789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7108   14.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4635   11.5977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9801   11.1095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7129   10.5776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4163    9.5778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4000    7.6074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8406    8.1148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6098    6.2930    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8461    9.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7046    9.5923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5579    9.0902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5496    8.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6910    7.6174    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6827    6.6321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  1 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
 12  9  1  0  0  0  0
  8 20  1  0  0  0  0
 14 21  1  0  0  0  0
 16 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 11 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 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  0     0  0
 35 36  1  1     0  0
 31 20  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010420

> <COMMON_NAME>
Hirsutidin 3-glucoside

> <SYSTEMATIC_NAME>
3,5,4'-Trihydroxy-7,3',5'-trimethoxyflavylium 3-glucoside

> <FORMULA>
C24H27O12

> <MASS>
507.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HOQYXINLVDTZAR-BKSKZGTRSA-O

> <INCHI>
InChI=1S/C24H26O12/c1-31-11-6-13(26)12-8-17(35-24-22(30)21(29)20(28)18(9-25)36-24)23(34-14(12)7-11)10-4-15(32-2)19(27)16(5-10)33-3/h4-8,18,20-22,24-25,28-30H,9H2,1-3H3,(H-,26,27)/p+1/t18-,20-,21+,22-,24-/m1/s1

> <SMILES>
C1(OC)C=C2[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)=CC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257023

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 4058

> <CITATION>
-

$$$$