LMPK12100035
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    9.8326   12.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7540   12.8209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   12.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6750   11.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6304   10.6345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5857   11.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5857   12.2892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6304   12.8407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8326   11.2257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7540   10.6938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6304    9.5322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7144    9.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7144    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6304    7.4173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5463    7.9460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5463    9.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5401   12.8403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6304    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7515    9.6401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7994    7.4177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4612    9.5318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1149   12.7274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3846   12.3058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5919    8.0088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5992    8.1975    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7703   10.0143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3384   10.6445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9330   11.5601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7573    9.7329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1775    8.9173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1788    9.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7645    9.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3442   10.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9298   11.6456    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
 13 20  1  0  0  0  0
 16 21  1  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 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  0     0  0
 33 34  1  1     0  0
 29 19  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12100035

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
5,2',4',5'-Tetrahydroxy-7-methoxy-4-phenylcoumarin 5-O-glucoside

> <FORMULA>
C22H22O12

> <MASS>
478.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LKCRMORFQZVSHE-RECXWPGBSA-N

> <INCHI>
InChI=1S/C22H22O12/c1-31-8-2-14-18(10(5-17(27)32-14)9-4-12(25)13(26)6-11(9)24)15(3-8)33-22-21(30)20(29)19(28)16(7-23)34-22/h2-6,16,19-26,28-30H,7H2,1H3/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(O)=CC(O)=C(O)C=3)=CC(=O)OC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257544

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$