LMPK12140098
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0            999 V2000
   -0.1652   -8.7230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652   -8.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7016   -8.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5652   -9.7234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1652   -9.7279    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7038  -10.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320  -10.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2989   -9.7235    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2989   -8.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320   -8.2220    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1649   -8.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0286   -6.7232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1645   -7.2218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8958   -7.2231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0355   -8.7244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8984   -8.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7022   -7.2229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0311   -8.2228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4320  -11.2239    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0284   -5.7232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7610   -6.7217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7667   -8.7149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7712   -9.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8943   -5.2230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4382   -5.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2523   -6.4091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4239   -8.3988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7931   -8.1312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7522   -9.8004    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7042   -7.1319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5239   -6.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4327   -6.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5184   -7.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6987   -8.5519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7844   -9.5467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  2  0     0  0
  1  5  1  0     0  0
  5  6  2  0     0  0
  6  4  1  0     0  0
  4  2  2  0     0  0
  2  3  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  2  1  0     0  0
  9 11  1  0     0  0
 13 11  2  0     0  0
 11 15  1  0     0  0
 15 16  2  0     0  0
 16 14  1  0     0  0
 14 12  2  0     0  0
 12 13  1  0     0  0
  3 17  1  0     0  0
  1 18  1  0     0  0
  7 19  2  0     0  0
 12 20  1  0     0  0
 14 21  1  0     0  0
 16 22  1  0     0  0
 22 23  1  0     0  0
 20 24  1  0     0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 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
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
 30 21  1  1     0  0
M  END
> <LM_ID>
LMPK12140098

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
7,8,4'-Trihydroxy-3',5'-dimethoxyflavanone 4'-O-glucoside

> <FORMULA>
C23H26O12

> <MASS>
494.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PZCWNNWPQYVBEG-MPPQLBJFSA-N

> <INCHI>
InChI=1S/C23H26O12/c1-31-14-5-9(13-7-12(26)10-3-4-11(25)17(27)21(10)33-13)6-15(32-2)22(14)35-23-20(30)19(29)18(28)16(8-24)34-23/h3-6,13,16,18-20,23-25,27-30H,7-8H2,1-2H3/t13?,16-,18-,19+,20-,23+/m1/s1

> <SMILES>
C1(O)C=CC2C(=O)CC(C3C=C(OC)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=C(OC)C=3)OC=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
140129

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178336312

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1071187

> <CITATION>
-

$$$$