LMPK12111637
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   12.3830    8.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3829    7.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0609    7.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0609    8.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220    8.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8998    7.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7387    7.5136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7387    8.4822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8998    8.9666    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8998    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5776    8.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4325    8.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2875    8.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2875    9.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4325   10.4474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5776    9.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5444    8.9664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5776    7.0292    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2220    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4325   11.4163    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.1264    8.4822    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2714   11.9006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1264    7.5135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1829    6.9979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2971    6.3267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7780    7.6231    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8392    9.2796    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2723    9.0928    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6041    8.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4234    7.6462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4777    7.3110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7183    7.9592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8990    8.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395    9.5916    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
  7 11  2  0  0  0  0
  9 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 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 12  1  0  0  0  0
  1 18  1  0  0  0  0
  8 19  1  0  0  0  0
  3 20  1  0  0  0  0
 16 21  1  0  0  0  0
 14 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 29 35  1  0     0  0
 34 28  1  0     0  0
 28 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  0     0  0
 34 35  1  1     0  0
 30 18  1  1     0  0
 31 25  1  6     0  0
 32 26  1  1     0  0
 33 27  1  6     0  0
M  END
> <LM_ID>
LMPK12111637

> <COMMON_NAME>
Lagotiside

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H24O12

> <MASS>
492.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YJVIBQPIETZRSU-MQEWLLHDSA-N

> <INCHI>
InChI=1S/C23H24O12/c1-31-10-3-9(4-11(5-10)32-2)22-20(29)18(27)16-13(25)6-12(7-14(16)34-22)33-23-21(30)19(28)17(26)15(8-24)35-23/h3-7,15,17,19,21,23-26,28-30H,8H2,1-2H3/t15-,17-,19+,21-,23-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC(C3C=C(OC)C=C(OC)C=3)=C(O)C(=O)C=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258727

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$