LMPK12050437
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   10.8915   11.2601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8476   10.7082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8037   11.2601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7596   10.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7596    9.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7509    8.9913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7421    9.5638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7421   10.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7509   11.2807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8480    9.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8037    9.0529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7509    8.0701    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6902    9.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6902    7.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6380    7.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5854    7.9220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5854    9.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6380    9.5634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8037    8.0778    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8037   11.9443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6380    6.5311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6380   10.2933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.5336    7.3747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4990   12.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3980   10.7322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3614    7.8526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4526    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773    9.2587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1367    8.2703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4156    9.2831    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1578   11.2724    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6623   10.6427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0239   10.7658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0168    9.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1437    9.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2832    9.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2903   10.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4298   11.2845    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
 11 19  1  0  0  0  0
  3 20  1  0  0  0  0
 15 21  1  0  0  0  0
 18 22  1  0  0  0  0
 16 23  1  0  0  0  0
 20 24  1  0  0  0  0
 22 25  1  0  0  0  0
 23 26  1  0  0  0  0
 21 27  1  0  0  0  0
 32 38  1  0     0  0
 37 31  1  0     0  0
 31 33  1  0     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 36 37  1  0     0  0
 37 38  1  1     0  0
 33  1  1  1     0  0
 34 28  1  6     0  0
 35 29  1  1     0  0
 36 30  1  6     0  0
M  END
> <LM_ID>
LMPK12050437

> <COMMON_NAME>
Isocaviunin 7-O-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C25H28O13

> <MASS>
536.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Isocaviudin

> <INCHI_KEY>
VDIAQGCUYKTVQT-KNGJJONBSA-N

> <INCHI>
InChI=1S/C25H28O13/c1-32-13-7-15(34-3)14(33-2)5-10(13)11-9-36-24-18(19(11)28)12(27)6-16(23(24)35-4)37-25-22(31)21(30)20(29)17(8-26)38-25/h5-7,9,17,20-22,25-27,29-31H,8H2,1-4H3/t17-,20-,21+,22-,25-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14779765

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$