LMPK12100033
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
    9.7633   12.1729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   12.6944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5698   12.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5698   11.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5062   10.5510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4430   11.0915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4430   12.1730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5062   12.7138    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7633   11.1302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6667   10.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5062    9.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6084    8.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6084    7.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5062    7.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4043    7.9151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4043    8.9517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3787   12.7133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5062    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6705    9.5510    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3014    7.3971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8603   12.6941    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1388    7.6215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2017    7.1172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8014    8.5410    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9991   10.0115    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4257   10.0492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7045    9.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4387    8.3334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4674    8.0819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7674    8.7938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0332    9.7585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3331   10.4705    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
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 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  1     0  0
 27 19  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12100033

> <COMMON_NAME>


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

> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Neoflavonoids [PK1210]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VAPVFWUBNBLVMB-CMWLGVBASA-N

> <INCHI>
InChI=1S/C21H20O11/c22-7-15-18(27)19(28)20(29)21(32-15)31-14-5-9(23)4-13-17(14)10(6-16(26)30-13)8-1-2-11(24)12(25)3-8/h1-6,15,18-25,27-29H,7H2/t15-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1(O)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>
14134093

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$