LMPK12020053
  LIPID_MAPS_STRUCTURE_DATABASE

 42 46  0     0  0            999 V2000
    7.6604   12.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6604   11.5905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5882   11.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160   11.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5160   12.6619    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5882   13.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4436   11.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3714   11.5906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3714   12.6620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4436   13.1975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2992   13.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2348   12.6575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1701   13.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1702   14.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2348   14.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2993   14.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0656   14.7947    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   13.1975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2992   11.0550    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2347   15.8967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5880    9.9862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2761   11.6147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6913   10.1992    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1722    8.2709    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7916    9.4221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3346    7.3252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0498   10.3915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0164   10.6505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7248    9.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4652    8.9761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4985    8.7171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2389    7.7529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3204    5.3238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5798    4.3354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8587    5.3482    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6009    7.3375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4669    6.8309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4598    5.8303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5867    5.3360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7263    5.8425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7333    6.8431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8728    7.3496    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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  6  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
 17 14  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  1  0  0  0
 15 20  1  0  0  0  0
  3 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     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  6     0  0
 37 26  1  1     0  0
 38 33  1  6     0  0
 39 34  1  6     0  0
 40 35  1  1     0  0
 27 19  1  1     0  0
M  END
> <LM_ID>
LMPK12020053

> <COMMON_NAME>
Catechin 3-O-rutinoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H34O15

> <MASS>
598.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FL63ACGS0008

> <PUBCHEM_COMPOUND_ID>
44257079

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPK12020053

$$$$