LMPK12050013
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0     0  0            999 V2000
   12.3380    9.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3380    8.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2085    7.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0790    8.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0790    9.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2085    9.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9499    7.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8202    8.4759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8202    9.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9499    9.9837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4679    9.9834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9499    6.9692    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6904    7.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6904    7.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4978    6.5752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3051    7.0412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3051    7.9738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4978    8.4398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1110    6.5761    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4532    7.9144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6539    6.8927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8747    7.9397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6757    9.9961    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0961    9.3451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5710    9.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5637    8.4380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6611    7.9270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7717    8.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7791    9.4850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8894   10.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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  5  1  0  0  0  0
  1 11  1  0  0  0  0
  7 12  2  0  0  0  0
  8 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 13  2  0  0  0  0
 16 19  1  0  0  0  0
 24 30  1  0     0  0
 29 23  1  0     0  0
 23 25  1  0     0  0
 25 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  1     0  0
 25 11  1  1     0  0
 26 20  1  6     0  0
 27 21  1  1     0  0
 28 22  1  6     0  0
M  END
> <LM_ID>
LMPK12050013

> <COMMON_NAME>
Daidzin

> <SYSTEMATIC_NAME>
7-(beta-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

> <FORMULA>
C21H20O9

> <MASS>
416.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Daidzein 7-O-glucoside

> <INCHI_KEY>
KYQZWONCHDNPDP-QNDFHXLGSA-N

> <INCHI>
InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC=C(C3=CC=C(O)C=C3)C(=O)C=2C=C1

> <KEGG_ID>
C10216

> <HMDB_ID>
-

> <CHEBI_ID>
42202

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
107971

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3847

> <CITATION>
-

$$$$