LMPK12120250
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0            999 V2000
    9.4435   -4.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4435   -5.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3424   -6.0611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2416   -5.5419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2416   -4.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3424   -3.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1401   -6.0608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0367   -5.5431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9315   -6.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8243   -5.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6981   -6.0486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5717   -5.5443    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5717   -4.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6981   -4.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8243   -4.5354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1401   -7.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4239   -4.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5450   -3.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1401   -3.9851    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3623   -7.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3623   -9.0953    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6288  -10.0961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9006   -9.0955    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286   -7.0939    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1377   -7.7413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4982   -7.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4982   -8.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6286   -9.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7647   -8.5951    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7647   -7.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9006   -7.0940    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  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 10  1  0  0  0  0
  7 16  2  0  0  0  0
 17 13  1  0  0  0  0
  1 18  1  0  0  0  0
  5 19  1  0  0  0  0
 25 31  1  0     0  0
 30 24  1  0     0  0
 24 26  1  0     0  0
 26 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  1     0  0
 26 20  1  1     0  0
 27 21  1  6     0  0
 28 22  1  1     0  0
 29 23  1  6     0  0
  3 20  1  0     0  0
M  END
> <LM_ID>
LMPK12120250

> <COMMON_NAME>
Isosalipurposide

> <SYSTEMATIC_NAME>
(E)-3-(4-Hydroxyphenyl)-1-(2-beta-D-glucopyranosyloxy-4,6-dihydroxyphenyl)-2-propene-1-one

> <FORMULA>
C21H22O10

> <MASS>
434.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Chalcones and dihydrochalcones [PK1212]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Phlorizin chalcone

> <INCHI_KEY>
WQCWELFQKXIPCN-JSYAWONVSA-N

> <INCHI>
InChI=1S/C21H22O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-8,16,18-24,26-29H,9H2/b6-3+/t16-,18-,19+,20-,21-/m1/s1

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

> <KEGG_ID>
C16406

> <HMDB_ID>
-

> <CHEBI_ID>
80486

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5318659

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3570

> <CITATION>
-

$$$$