LMPK12110433
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   11.3878   -6.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4690   -6.1980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5503   -6.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5503   -7.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4690   -8.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3878   -7.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6318   -6.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7130   -6.7284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7130   -7.7892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6318   -8.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8827   -6.2490    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6318   -9.2705    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4690   -9.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3929   -6.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115   -6.6785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2303   -6.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2303   -5.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3115   -4.5568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3929   -5.0873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0214   -4.6306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.8673   -5.1191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040   -5.3277    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9040   -3.3260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6347   -2.3296    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5041   -4.8269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1889   -2.3460    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6358   -5.3298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7694   -4.8295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7706   -3.8262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6360   -3.3281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5026   -3.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3680   -3.3303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  8 11  1  0  0  0  0
 10 12  1  0  0  0  0
  5 13  2  0  0  0  0
  1 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 19  2  0  0  0  0
 19 14  1  0  0  0  0
 17 20  1  0  0  0  0
 20 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
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
 27  7  1  1     0  0
M  END
> <LM_ID>
LMPK12110433

> <COMMON_NAME>
Cytisoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H22O10

> <MASS>
446.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Trematin

> <INCHI_KEY>
ADCCDGCXRFALSQ-PGPONNFDSA-N

> <INCHI>
InChI=1S/C22H22O10/c1-30-10-4-2-9(3-5-10)14-7-13(26)16-11(24)6-12(25)17(21(16)31-14)22-20(29)19(28)18(27)15(8-23)32-22/h2-7,15,18-20,22-25,27-29H,8H2,1H3/t15-,18-,19+,20-,22+/m1/s1

> <SMILES>
C1(C2C=CC(OC)=CC=2)=CC(=O)C2C(O)=CC(O)=C([C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O3)C=2O1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21161135

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$