LMPK12010134
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    7.4267    9.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4267    8.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2846    7.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1426    8.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1426    9.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2846    9.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0004    7.8064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8583    8.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8583    9.2925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0004    9.7878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7160    9.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5903    9.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4646    9.7874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4646   10.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5903   11.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7160   10.7971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5691    9.7874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3388   11.3018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2846    6.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5001    7.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5903   12.3114    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8414    7.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8414    8.6631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5510    7.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5587    7.7173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5587    8.5043    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2053    7.0706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2757    8.0031    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8676    6.8715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6816    4.9319    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2041    5.6522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7900    3.7052    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2949    6.6270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1827    7.0333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9799    6.4650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868    5.4953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9990    5.0890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9060    4.1192    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
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 32 38  1  0     0  0
 37 31  1  0     0  0
 31 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  1     0  0
 33 20  1  1     0  0
 34 28  1  6     0  0
 35 29  1  1     0  0
 36 30  1  6     0  0
 29 22  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010134

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Cyanidin 3-(3''-malonylglucoside)

> <FORMULA>
C24H23O14

> <MASS>
535.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AWPCCUSBXWEBBS-FYFHWUFJSA-O

> <INCHI>
InChI=1S/C24H22O14/c25-8-17-20(33)23(38-19(32)7-18(30)31)21(34)24(37-17)36-16-6-11-13(28)4-10(26)5-15(11)35-22(16)9-1-2-12(27)14(29)3-9/h1-6,17,20-21,23-25,33-34H,7-8H2,(H4-,26,27,28,29,30,31)/p+1/t17-,20-,21-,23+,24-/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](OC(CC(=O)O)=O)[C@H](O)[C@@H](CO)O3)=CC=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102445481

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 88845

> <CITATION>
-

$$$$