LMPK12110390
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
   14.9855    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9855    8.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8144    7.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6434    8.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6434    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8144    9.5372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4721    7.6229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3010    8.1014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3010    9.0586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4721    9.5372    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4721    6.8767    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1295    9.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9745    9.0493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8193    9.5370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8193   10.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9745   11.0002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1295   10.5123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1570    9.5370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.6638   11.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8144    6.8763    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5359   11.4877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5359   12.5490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6168   10.9573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6999   11.4867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7952   10.9642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9532    7.3828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9854    6.4823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2274    7.7352    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2910    9.7135    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1760    9.0864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0741    8.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0873    7.5592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2083    8.1858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3102    9.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4311    9.8894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4365   10.9704    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  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  7 11  2  0  0  0  0
  9 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 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
 15 19  1  0  0  0  0
 20  3  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 34 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 32 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  1     0  0
 30 18  1  1     0  0
 31 26  1  6     0  0
 32 27  1  1     0  0
 33 28  1  6     0  0
 35 36  1  0     0  0
 36 21  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110390

> <COMMON_NAME>
Apigenin 7-(6''-crotonylglucoside)

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxyflavone 7-(6"-crotonylglucoside)

> <FORMULA>
C25H24O11

> <MASS>
500.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CWIZJGIOHRXGPF-WSUCEEDKSA-N

> <INCHI>
InChI=1S/C25H24O11/c1-2-3-20(29)33-11-19-22(30)23(31)24(32)25(36-19)34-14-8-15(27)21-16(28)10-17(35-18(21)9-14)12-4-6-13(26)7-5-12/h2-10,19,22-27,30-32H,11H2,1H3/b3-2+/t19-,22-,23+,24-,25-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(/C=C/C)=O)O2)=CC2OC(C3C=CC(O)=CC=3)=CC(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14334939

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 49852

> <CITATION>
-

$$$$