LMPK12050432
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
   10.8622    9.9397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8108    9.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7595    9.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080    9.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7080    8.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6913    7.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6748    8.2566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6748    9.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6913    9.9600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8111    8.2972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7595    7.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6913    6.8533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6577    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6577    6.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5980    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5383    6.6035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5383    7.6890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5980    8.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5708    6.2681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2090    7.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5708    8.0247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7595   10.5442    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7595    6.9407    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5149   10.9803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3884    6.3117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8480    7.9384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1074    6.9499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3863    7.9628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1285    9.9520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6330    9.3223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9945    9.4455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9874    8.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1143    7.9505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2539    8.4570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2610    9.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4005    9.9641    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  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9  4  1  0  0  0  0
  2 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11  5  1  0  0  0  0
  6 12  2  0  0  0  0
  7 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 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 13  1  0  0  0  0
 16 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 17  1  0  0  0  0
  3 22  1  0  0  0  0
 11 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
 30 36  1  0     0  0
 35 29  1  0     0  0
 29 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  0     0  0
 35 36  1  1     0  0
 31  1  1  1     0  0
 32 26  1  6     0  0
 33 27  1  1     0  0
 34 28  1  6     0  0
M  END
> <LM_ID>
LMPK12050432

> <COMMON_NAME>
Platycarpanetin 7-O-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C24H24O12

> <MASS>
504.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QYEZUQKEIYQZPU-OREFEKLXSA-N

> <INCHI>
InChI=1S/C24H24O12/c1-30-14-6-15(35-24-21(29)20(28)19(27)16(7-25)36-24)22(31-2)23-17(14)18(26)11(8-32-23)10-3-4-12-13(5-10)34-9-33-12/h3-6,8,16,19-21,24-25,27-29H,7,9H2,1-2H3/t16-,19-,20+,21-,24-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C=C(OC)C2C(=O)C(C3C=C4OCOC4=CC=3)=COC=2C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257367

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$