LMPK12111126
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
   13.0129    8.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0129    7.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9175    7.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8221    7.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8221    8.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9175    9.0907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7267    7.0015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6314    7.5237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6314    8.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7267    9.0907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7267    6.2206    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.5356    9.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4577    8.5580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3794    9.0904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3794   10.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4577   10.6874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5356   10.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9175    6.2175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1523    9.1924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2674    7.0934    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0962   10.5688    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2674    6.3903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0962   11.2902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1130    7.4216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0596    7.4363    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0500    9.2190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6182   10.0926    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0781   10.8132    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1279    9.1984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6083    8.3130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5790    8.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0743    9.2130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5940   10.0984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0892   10.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5274   11.9174    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
 18  3  1  0  0  0  0
 19  1  1  0  0  0  0
 15 21  1  0  0  0  0
  2 20  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 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  1     0  0
 29 19  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
 34 35  2  0     0  0
M  END
> <LM_ID>
LMPK12111126

> <COMMON_NAME>
Comanthoside B

> <SYSTEMATIC_NAME>
5,7-Dihydroxy-6,4'-dimethoxyflavone 7-glucuronide

> <FORMULA>
C23H22O12

> <MASS>
490.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Pectolinarigenin 7-glucuronide

> <INCHI_KEY>
ZEKXCIHGJAZTEW-VLXBDIDVSA-N

> <INCHI>
InChI=1S/C23H22O12/c1-31-10-5-3-9(4-6-10)12-7-11(24)15-13(33-12)8-14(20(32-2)16(15)25)34-23-19(28)17(26)18(27)21(35-23)22(29)30/h3-8,17-19,21,23,25-28H,1-2H3,(H,29,30)/t17-,18-,19+,21-,23+/m0/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](C(=O)O)O2)=CC2OC(C3C=CC(OC)=CC=3)=CC(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
38362596

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 694320

> <CITATION>
-

$$$$