LMPK12100041
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.5923   11.8419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743   12.3511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3564   11.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3564   10.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711   10.2578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1857   10.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1857   11.8421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711   12.3701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5923   10.8237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4743   10.3146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711    9.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3941    8.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3941    7.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711    7.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1480    7.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1480    8.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0996   12.3697    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2711    6.1656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0241    7.1778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4720    9.3057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8276   12.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0859   11.8551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4582    7.3657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7710    6.4075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1027    7.3894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7914    9.3176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3726    8.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6310    8.8266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6241    7.8567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7778    7.3775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9438    7.8684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9505    8.8384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1164    9.3293    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; 85718

> <CITATION>
-

$$$$