LMPK12111947
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   12.2914   14.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2914   13.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2178   12.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1443   13.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1443   14.5479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2178   15.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3649   12.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4383   13.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5119   12.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5119   11.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4383   11.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3649   11.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854   13.4781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6590   12.9432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6590   11.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854   11.3385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4383   10.4070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   13.4781    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1511   11.4193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9232   14.9976    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5854   10.4313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8772   10.4064    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8629    8.4047    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1252    7.4206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2736    9.9241    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5712    7.4481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1453   10.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0083    9.9143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9999    8.9110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1310    8.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2680    8.9256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3991    8.4336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5517    6.6015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9743    5.6952    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5555    6.6886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1217    7.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0877    7.1800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4146    6.7317    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
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12  7  2  0  0  0  0
  9 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 10  1  0  0  0  0
 14 18  1  0  0  0  0
 11 17  2  0  0  0  0
 12 19  1  0  0  0  0
  5 20  1  0  0  0  0
 16 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
 27 19  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 24 33  1  0     0  0
 33 34  2  0     0  0
 33 35  1  0     0  0
 23 36  1  0     0  0
 36 37  2  0     0  0
 36 38  1  0     0  0
M  END
> <LM_ID>
LMPK12111947

> <COMMON_NAME>
Kaempferol 3-(3'',4''-diacetylglucoside)

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H24O13

> <MASS>
532.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ZZHGMPLMFXXKJP-AZIDITQVSA-N

> <INCHI>
InChI=1S/C25H24O13/c1-10(27)34-22-17(9-26)37-25(20(33)24(22)35-11(2)28)38-23-19(32)18-15(31)7-14(30)8-16(18)36-21(23)12-3-5-13(29)6-4-12/h3-8,17,20,22,24-26,29-31,33H,9H2,1-2H3/t17-,20-,22-,24-,25+/m1/s1

> <SMILES>
C1C=C(O)C=CC=1C1=C(O[C@H]2[C@H](O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](CO)O2)C(=O)C2C(O)=CC(O)=CC=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44259017

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$