LMPK12050395
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   10.8285    9.9787    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7622    9.4396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6958    9.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6290    9.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6290    8.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5968    7.7635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5647    8.3224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5647    9.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5968    9.9987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7626    8.3623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6958    7.8236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5968    6.9537    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5317    7.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5317    6.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4571    6.1614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3824    6.6956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3824    7.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4571    8.2982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3077    6.1614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6958    6.9978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9398    7.8874    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3077    8.2982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0432    7.8734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9397    6.8874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1307    8.1029    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1570    7.7693    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8861    9.3098    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2036   10.5832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433   10.8450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8442    9.8110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4953    8.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5057    8.7072    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8705    9.4775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2193   10.4153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5839   11.1856    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
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 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
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 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
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 16 19  1  0  0  0  0
 11 20  1  0  0  0  0
 10 21  1  0  0  0  0
 17 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 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  1  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>
LMPK12050395

> <COMMON_NAME>
Iristectorigenin B 7-O-glucoside

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H24O12

> <MASS>
492.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Iristectorin B

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
FLIAECGS0003

> <PUBCHEM_COMPOUND_ID>
5318487

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPK12050395

$$$$