LMPK12112892
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    7.7264    8.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7264    7.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5838    7.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4412    7.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4412    8.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5838    9.4595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2986    7.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1560    7.9745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1560    8.9643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2986    9.4595    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2986    6.7074    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0130    9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8870    8.9548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7609    9.4592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7609   10.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8870   10.9728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0130   10.4684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8692    9.4592    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1550    7.1262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6346   10.9726    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5838    6.4897    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8870   11.9817    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0394    7.5777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2177    8.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9995    6.2501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1631    4.2143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4844    3.0597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3961    5.5283    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9023    2.9493    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2380    6.1107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1601    5.6727    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2408    4.6522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4014    4.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4792    4.5131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6398    3.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
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 19  8  1  0  0  0  0
 15 20  1  0  0  0  0
  3 21  1  0  0  0  0
 16 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
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 33 34  1  0     0  0
 34 35  1  1     0  0
 30 19  1  1     0  0
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 32 26  1  1     0  0
 33 27  1  6     0  0
M  END
> <LM_ID>
LMPK12112892

> <COMMON_NAME>
Patuletin 3-glucoside

> <SYSTEMATIC_NAME>
3-[(beta-D-Glucopyranosyl)oxy]-3',4',5,7-tetrahydroxy-6-methoxyflavone

> <FORMULA>
C22H22O13

> <MASS>
494.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AFBZFRQNKMLRPU-OOVDEOTFSA-N

> <INCHI>
InChI=1S/C22H22O13/c1-32-20-10(26)5-11-13(15(20)28)16(29)21(19(33-11)7-2-3-8(24)9(25)4-7)35-22-18(31)17(30)14(27)12(6-23)34-22/h2-5,12,14,17-18,22-28,30-31H,6H2,1H3/t12-,14-,17+,18-,22+/m1/s1

> <SMILES>
C1(O)=CC2OC(C3C=C(O)C(O)=CC=3)=C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C(=O)C=2C(O)=C1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11968829

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 561532

> <CITATION>
-

$$$$