LMPK12100041
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0     0  0            999 V2000
    9.8957   12.2164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8056   12.7417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7156   12.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7156   11.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6592   10.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6027   11.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6027   12.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6592   12.7613    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8957   11.1660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8056   10.6408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6592    9.4934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7545    8.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7545    7.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6592    7.4044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5638    7.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5638    8.9712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5455   12.7609    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6592    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4676    7.4048    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8032    9.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1068   12.6717    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3416   12.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7890    7.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0484    6.6102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3273    7.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0695    9.6123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5741    8.9826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9356    9.1058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9285    8.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0554    7.6108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1950    8.1173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2020    9.1179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3415    9.6244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 10 20  1  0  0  0  0
  1 21  1  0  0  0  0
 21 22  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
 28 20  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  6     0  0
M  END
> <LM_ID>
LMPK12100041

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,3',4'-Trihydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside

> <FORMULA>
C22H22O11

> <MASS>
462.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JZBHUVGJBWDUSA-RECXWPGBSA-N

> <INCHI>
InChI=1S/C22H22O11/c1-30-10-5-14-18(11(7-17(26)31-14)9-2-3-12(24)13(25)4-9)15(6-10)32-22-21(29)20(28)19(27)16(8-23)33-22/h2-7,16,19-25,27-29H,8H2,1H3/t16-,19-,20+,21-,22-/m1/s1

> <SMILES>
C1(OC)C=C(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C2C(C3C=C(O)C(O)=CC=3)=CC(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
13962183

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$