LMPK12050375
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
   10.4955    9.7159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3855    9.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2758    9.7163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1659    9.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1659    8.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0892    7.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0123    8.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0123    9.2024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0892    9.7353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3856    8.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2758    7.6606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0892    6.5757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9023    7.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9024    6.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7850    6.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6675    6.6033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6675    7.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7850    8.1320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2758    6.6331    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5575    6.0895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4956    7.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2129    6.4679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4957    6.7033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5257    8.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6094    8.0770    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6673    9.7406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0640   10.5560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6936   11.2285    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    9.7215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0547    8.8953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0941    8.9033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6232    9.7351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1081   10.5614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6371   11.3932    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
 16 20  1  0  0  0  0
 10 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0     0  0
 28 34  1  0     0  0
 33 27  1  0     0  0
 27 29  1  0     0  0
 29 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  1     0  0
 29  1  1  1     0  0
 30 24  1  6     0  0
 31 25  1  1     0  0
 32 26  1  6     0  0
M  END
> <LM_ID>
LMPK12050375

> <COMMON_NAME>
Irisolidone 7-O-glucoside

> <SYSTEMATIC_NAME>
3-(4-Methoxyphenyl)-5-hydroxy-7-[(beta-D-glucopyranosyl)oxy]-6-methoxy-4H-1-benzopyran-4-one

> <FORMULA>
C23H24O11

> <MASS>
476.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Kakkalidone

> <INCHI_KEY>
XKNZYDKRYPYTHS-ZTATXHNCSA-N

> <INCHI>
InChI=1S/C23H24O11/c1-30-11-5-3-10(4-6-11)12-9-32-13-7-14(22(31-2)19(27)16(13)17(12)25)33-23-21(29)20(28)18(26)15(8-24)34-23/h3-7,9,15,18,20-21,23-24,26-29H,8H2,1-2H3/t15-,18-,20+,21-,23-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10027948

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3892

> <CITATION>
-

$$$$