LMPK12050393
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0     0  0            999 V2000
    7.4695   10.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3370   10.7231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2043   10.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2043    9.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1035    8.6646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0031    9.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0031   10.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1035   10.7417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4695    9.2212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3370    8.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1035    7.6269    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9020    8.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9020    7.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7617    7.1757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6216    7.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6216    8.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7617    9.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3551    7.1252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3370    7.6033    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5172   10.5316    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9287    9.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5172    8.9116    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4812    9.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4811   10.1396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4895    8.7210    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4388    8.5365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2497    6.7591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7375    6.1426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.0905    5.2471    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3277    7.0345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8949    7.8323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8718    7.7385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2771    6.8499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7100    6.0521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1154    5.1633    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  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  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  4  1  0  0  0  0
  5 11  2  0  0  0  0
  6 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
 18 15  1  0  0  0  0
 10 19  1  0  0  0  0
  1 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  9  1  0  0  0  0
 16 23  1  0  0  0  0
 23 24  1  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>
LMPK12050393

> <COMMON_NAME>
Iriflogenin 4'-O-glucoside

> <SYSTEMATIC_NAME>
7-[4-(beta-D-Glucopyranosyloxy)-3-methoxyphenyl]-9-hydroxy-8H-1,3-dioxolo[4,5-g][1]benzopyran-8-one

> <FORMULA>
C23H22O12

> <MASS>
490.11

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Irifloside

> <INCHI_KEY>
ZYXMBDJAUWLBQW-ZTATXHNCSA-N

> <INCHI>
InChI=1S/C23H22O12/c1-30-12-4-9(2-3-11(12)34-23-21(29)20(28)18(26)15(6-24)35-23)10-7-31-13-5-14-22(33-8-32-14)19(27)16(13)17(10)25/h2-5,7,15,18,20-21,23-24,26-29H,6,8H2,1H3/t15-,18-,20+,21-,23-/m1/s1

> <SMILES>
C12OCOC1=C(O)C1C(=O)C(C3C=C(OC)C(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)=CC=3)=COC=1C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102090477

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 26378

> <CITATION>
-

$$$$