LMPK12050121
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
   10.7621   10.8119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6628   10.2922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5631   10.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4632   10.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4632    9.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3968    8.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3303    9.2142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3303   10.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3968   10.8313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6632    9.2530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5631    8.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3968    7.8942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2631    8.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2631    7.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1555    7.1300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0480    7.6452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0480    8.6758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1555    9.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3699    6.1221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.3944    6.0143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8136    6.9557    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8899    8.8065    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1555   10.0228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.8612   10.4300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8899    7.8363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9291    9.0580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9934    8.9025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8954   10.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2429   11.5335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7905   12.0030    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7966   10.7330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3801    9.8562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4098    9.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8609   10.5776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2774   11.4545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7284   12.2527    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
 15 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 16  1  0  0  0  0
 10 22  1  0  0  0  0
 18 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  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>
LMPK12050121

> <COMMON_NAME>
Dalpatein 7-O-glucoside

> <SYSTEMATIC_NAME>
7-Hydroxy-6,2'-dimethoxy-4',5'-methylenedioxyisoflavone 7-O-glucoside

> <FORMULA>
C24H24O12

> <MASS>
504.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Dalpatin

> <INCHI_KEY>
SSMIVTVDYTUWPJ-PFKOEMKTSA-N

> <INCHI>
InChI=1S/C24H24O12/c1-30-13-5-17-16(33-9-34-17)3-10(13)12-8-32-14-6-18(15(31-2)4-11(14)20(12)26)35-24-23(29)22(28)21(27)19(7-25)36-24/h3-6,8,19,21-25,27-29H,7,9H2,1-2H3/t19-,21-,22+,23-,24-/m1/s1

> <SMILES>
O([C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O1)C1C(OC)=CC2C(=O)C(C3C(OC)=CC4OCOC=4C=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257252

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1357585

> <CITATION>
-

$$$$