LMPK12100042
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.0310   11.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9155   12.3826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7996   11.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7996   10.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7165   10.2839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6336   10.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6336   11.8724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7165   12.4014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0310   10.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9155   10.3407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7165    9.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8375    8.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8375    7.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7165    7.1957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5957    7.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5957    8.7183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5497   12.4012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7165    6.1813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9131    9.3294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4741    7.1959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3151   12.3058    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6093   11.8983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0690    7.3908    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4676    6.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7156    7.1210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2336    9.1944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8712    8.3733    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1151    8.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1930    7.8081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3895    7.2556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5136    7.6729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4357    8.6424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5597    9.0597    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
 10 19  1  0  0  0  0
 15 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 19  1  1     0  0
 29 23  1  6     0  0
 30 24  1  1     0  0
 31 25  1  1     0  0
M  END
> <LM_ID>
LMPK12100042

> <COMMON_NAME>


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

> <FORMULA>
C22H22O11

> <MASS>
462.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
JZBHUVGJBWDUSA-WIXLDOGYSA-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>
21676237

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 43485

> <CITATION>
3437283

$$$$