LMPK12010292
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
    7.4624   10.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4624    9.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3263    9.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1904    9.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1904   10.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3263   11.4051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0544    9.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183    9.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9183   10.9063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0544   11.4051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7819   11.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6627   10.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5432   11.4050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5432   12.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6627   12.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7819   12.4217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5988   11.4050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4235   12.9299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3263    8.4126    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6364    9.1854    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6627   13.9465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6792    4.2977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8791    3.8358    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3520    3.8813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4235   10.8966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1561    4.3656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1561    5.5489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0789    3.8329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4844    9.8433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9783    8.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6224    6.6468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2062    7.5846    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6227    5.4973    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3825    8.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3064    8.8809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0544    8.2424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8764    7.2802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9524    6.9513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7744    5.9889    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
 13 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 33 39  1  0     0  0
 38 32  1  0     0  0
 32 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  0     0  0
 38 39  1  1     0  0
 34 20  1  1     0  0
 35 29  1  6     0  0
 36 30  1  1     0  0
 37 31  1  6     0  0
 33 22  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010292

> <COMMON_NAME>
Delphinidin 3-(6''-malonylglucoside)

> <SYSTEMATIC_NAME>
3',4',5,5',7-Pentahydroxy-3-[[6-O-(3-hydroxy-1,3-dioxopropyl)-beta-D-glucopyranosyl]oxy]flavylium

> <FORMULA>
C24H23O15

> <MASS>
551.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FNFHDAUGLIPVPU-XQKZCQIMSA-O

> <INCHI>
InChI=1S/C24H22O15/c25-9-3-11(26)10-5-15(23(37-14(10)4-9)8-1-12(27)19(32)13(28)2-8)38-24-22(35)21(34)20(33)16(39-24)7-36-18(31)6-17(29)30/h1-5,16,20-22,24,33-35H,6-7H2,(H5-,25,26,27,28,29,30,32)/p+1/t16-,20-,21+,22-,24-/m1/s1

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

> <KEGG_ID>
C16301

> <HMDB_ID>
-

> <CHEBI_ID>
55334

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14311158

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 76714

> <CITATION>
-

$$$$