LMPK12140236
  LIPID_MAPS_STRUCTURE_DATABASE

 42 46  0     0  0            999 V2000
   11.8533    8.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8533    7.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6600    7.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4668    7.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4668    8.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6600    9.2200    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2734    7.3570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0802    7.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0802    8.7543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2734    9.2200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8863    9.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7155    8.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5445    9.2197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5445   10.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7155   10.6558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8863   10.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0802    9.8514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3718   10.6548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0138    9.1200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6600    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2734    6.5998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3984    9.5348    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5174    8.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1731    6.8830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8171    6.9202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9928    7.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2263    8.5512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2839    8.2067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1118    7.2233    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8783    6.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062    5.5965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3485   10.9575    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3772   11.3050    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0954    9.7736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4039    8.4838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8417    8.2401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0499    9.2514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7076   10.1917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7193   10.3646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786    9.5989    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4208    8.6586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7800    7.8929    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  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
  9 17  1  1  0  0  0
 14 18  1  0  0  0  0
  1 19  1  0  0  0  0
  3 20  1  0  0  0  0
  7 21  2  0  0  0  0
 30 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  0     0  0
 30 31  1  1     0  0
 27 22  1  1     0  0
 28 23  1  1     0  0
 29 24  1  6     0  0
 36 42  1  0     0  0
 41 35  1  0     0  0
 35 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
 38 32  1  1     0  0
 39 33  1  6     0  0
 40 34  1  1     0  0
 26 36  1  6     0  0
 37 19  1  6     0  0
M  END
> <LM_ID>
LMPK12140236

> <COMMON_NAME>
Narirutin

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H32O14

> <MASS>
580.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Isonaringin; Naringenin 7-O-rutinoside

> <INCHI_KEY>
HXTFHSYLYXVTHC-AJHDJQPGSA-N

> <INCHI>
InChI=1S/C27H32O14/c1-10-20(31)22(33)24(35)26(38-10)37-9-18-21(32)23(34)25(36)27(41-18)39-13-6-14(29)19-15(30)8-16(40-17(19)7-13)11-2-4-12(28)5-3-11/h2-7,10,16,18,20-29,31-36H,8-9H2,1H3/t10-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)O2)C=C2O[C@]([H])(C3C=CC(O)=CC=3)CC(=O)C2=C(O)C=1

> <KEGG_ID>
C09793

> <HMDB_ID>
-

> <CHEBI_ID>
28705

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442431

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 37656

> <CITATION>
14340024

$$$$