LMPK12050006
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    7.6880    9.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6880    8.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5599    7.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4317    8.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4317    9.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5599    9.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3035    7.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1754    8.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1754    9.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3035    9.9210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8166    9.9208    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3035    7.0581    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0910   14.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9028   13.9473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0910   15.5473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1185    6.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9472    6.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7760    6.9184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7760    7.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9472    8.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1185    7.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6046    6.4400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7689   10.8798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7690   12.9065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5213   13.9153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4015   11.3869    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0949   13.8987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5225   10.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6451   11.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6465   12.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5226   12.9044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4000   12.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2762   12.9022    0.0000 C   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
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 16  1  0  0  0  0
 18 22  1  0  0  0  0
 21  8  1  0  0  0  0
 27 33  1  0     0  0
 32 26  1  0     0  0
 26 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  0     0  0
 32 33  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
 27 13  1  0  0  0  0
 28  6  1  1     0  0
M  END
> <LM_ID>
LMPK12050006

> <COMMON_NAME>
Puerarin 6''-acetate

> <SYSTEMATIC_NAME>
7,4'-Dihydroxyisoflavone8-C-(6"-acetylglucoside)

> <FORMULA>
C23H22O10

> <MASS>
458.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
WXJZLIXXIFBNNP-CKSGFJDPSA-N

> <INCHI>
InChI=1S/C23H22O10/c1-10(24)31-9-16-19(28)20(29)21(30)23(33-16)17-15(26)7-6-13-18(27)14(8-32-22(13)17)11-2-4-12(25)5-3-11/h2-8,16,19-21,23,25-26,28-30H,9H2,1H3/t16-,19-,20+,21-,23+/m1/s1

> <SMILES>
C1(O)=C([C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O2)C2OC=C(C3C=CC(O)=CC=3)C(=O)C=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257208

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 861244

> <CITATION>
-

$$$$