LMPK12112842
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0  0  0  0  0  0  0  0999 V2000
    7.6049    8.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6049    7.6280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790    7.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3530    7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3530    8.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4789    9.1420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2269    7.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1007    7.6283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1007    8.6378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2268    9.1421    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2269    6.1144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9747    9.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.7563    9.1424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7563   10.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8655   10.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9747   10.1708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4790    6.1143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7309    7.1234    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7309    9.1420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9747    7.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8259    8.6194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8742    7.6181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9265    7.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2985   11.6229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9579   10.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9420    8.7294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4486    9.2237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1722    7.4488    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4540   10.1880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2904   10.6631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1216   10.1738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1135    9.2140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2771    8.7391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2691    7.7792    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
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  6  1  2  0  0  0  0
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  2 20  1  0  0  0  0
  1 21  1  0  0  0  0
  8 22  1  0  0  0  0
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 22 25  1  0  0  0  0
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 29 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  0     0  0
 35 36  1  1     0  0
 31 19  1  1     0  0
 32 26  1  6     0  0
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M  END
> <LM_ID>
LMPK12112842

> <COMMON_NAME>
Pendulin

> <SYSTEMATIC_NAME>
2-[4-(beta-D-Glucopyranosyloxy)phenyl]-5-hydroxy-3,6,7-trimethoxy-4H-1-benzopyran-4-one

> <FORMULA>
C24H26O12

> <MASS>
506.14

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
ASCBRLGHWVZBMG-NPVWYNPDSA-N

> <INCHI>
InChI=1S/C24H26O12/c1-31-13-8-12-15(17(27)22(13)32-2)18(28)23(33-3)21(35-12)10-4-6-11(7-5-10)34-24-20(30)19(29)16(26)14(9-25)36-24/h4-8,14,16,19-20,24-27,29-30H,9H2,1-3H3/t14-,16-,19+,20-,24-/m1/s1

> <SMILES>
C1(OC)=CC2OC(C3C=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=C(OC)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12314045

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1550857

> <CITATION>
-

$$$$