LMPK12010008
  LIPID_MAPS_STRUCTURE_DATABASE

 40 44  0  0  0  0  0  0  0  0999 V2000
    6.2354   10.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2354    9.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167    8.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5979    9.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5979   10.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167   10.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792    8.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9605    9.3583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9605   10.1449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2792   10.5382    0.0000 O   0  3  0  0  0  0  0  0  0  0  0  0
    9.6414   10.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3356   10.1371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0300   10.5381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0300   11.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3356   11.7406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6414   11.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7241   11.7405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544   10.5381    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9167    8.1786    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5192    9.0067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1210    7.7266    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.2988    8.2013    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.5598    7.2884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2988    6.3699    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1210    5.8952    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8601    6.8081    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0563    8.4610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3322    6.4310    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8066    6.1531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3795    9.2223    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2889    8.7820    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.9537    9.5427    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.9134    9.8585    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.0041   10.2989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3391    9.5383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6844    8.5266    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7062    9.3597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3921   10.3240    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4855    5.5170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0185    5.2474    0.0000 O   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
 21 22  1  0  0  0  0
 22 23  1  1  0  0  0
 23 24  1  1  0  0  0
 25 24  1  1  0  0  0
 25 26  1  0  0  0  0
 26 21  1  0  0  0  0
 21 27  1  0  0  0  0
 26 28  1  0  0  0  0
 22 20  1  0  0  0  0
  8 20  1  0  0  0  0
 25 29  1  0  0  0  0
 30 31  1  1  0  0  0
 31 32  1  1  0  0  0
 33 32  1  1  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 30  1  0  0  0  0
 31 36  1  0  0  0  0
 32 37  1  0  0  0  0
 33 38  1  0  0  0  0
 30 27  1  0  0  0  0
 24 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010008

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
Pelargonidin 3-lathyroside

> <FORMULA>
C26H29O14

> <MASS>
565.16

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
NKUOSFBSKVBOJC-HVHHODJLSA-O

> <INCHI>
InChI=1S/C26H28O14/c27-8-18-20(33)21(34)24(40-25-22(35)19(32)15(31)9-36-25)26(39-18)38-17-7-13-14(30)5-12(29)6-16(13)37-23(17)10-1-3-11(28)4-2-10/h1-7,15,18-22,24-27,31-35H,8-9H2,(H2-,28,29,30)/p+1/t15-,18?,19?,20+,21?,22-,24?,25+,26-/m1/s1

> <SMILES>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187655

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44256613

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$