LMPK12010452
  LIPID_MAPS_STRUCTURE_DATABASE

 42 46  0     0  0            999 V2000
    6.7431    8.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7431    7.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6600    6.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    7.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    8.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6600    8.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4936    6.8799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4104    7.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4104    8.4678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4936    8.9972    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3205   10.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3205    8.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2031    8.4854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0855    8.9949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0855   10.0139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2031   10.5235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0242    8.8829    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6600    6.0242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8235   10.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2031   11.2346    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5326    5.9509    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5467    3.9612    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2740    2.9830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1206    5.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2541    5.9653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3963    5.4618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4046    4.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2683    3.9756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1262    4.4790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9899    3.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2712    6.9121    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8887    4.4145    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8732    4.7282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7140    6.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5734    8.1563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7412    6.2716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3120    5.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3028    5.5406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7231    6.4451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1528    7.2572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1619    7.1705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5916    7.9828    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
 11 12  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 11  2  0  0  0  0
  9 12  1  0  0  0  0
  1 17  1  0  0  0  0
  3 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 29 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  6     0  0
 26 21  1  1     0  0
 27 22  1  6     0  0
 28 23  1  1     0  0
  8 31  1  0     0  0
 25 31  1  6     0  0
 30 32  1  0     0  0
 41 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 41 42  1  1     0  0
 38 33  1  1     0  0
 39 34  1  1     0  0
 40 35  1  6     0  0
 37 32  1  6     0  0
M  CHG  1  10   1
M  END
> <LM_ID>
LMPK12010452

> <COMMON_NAME>
Cyanidin 3-O-rutinoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H31O15

> <MASS>
595.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Anthocyanidins [PK1201]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Meralop; Sambucin; Keracyanin

> <KEGG_ID>
C08620

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
28064

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441674

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12010452

$$$$