LMPK12050512
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.7521   10.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7521    9.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    8.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5476    9.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5476   10.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500   11.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455    8.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3432    9.4685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3432   10.5052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455   11.0237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2403    8.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2403    7.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0727    7.5085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9055    7.9892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9055    8.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0727    9.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9609   10.9621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7364    7.5095    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4455    8.2469    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8550    8.9506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8550    7.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9577    7.3966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9577    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6500    7.9143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9479    9.2359    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9463    9.2502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9622   10.9879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4656   11.8395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9896   12.5420    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9623   10.9679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4559   10.1048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4526   10.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9607   10.9821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4671   11.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9751   12.7140    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  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 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 11  2  0  0  0  0
  1 17  1  0  0  0  0
 14 18  1  0  0  0  0
  7 19  2  0  0  0  0
  2 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
  3 25  1  0  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 17  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>
LMPK12050512

> <COMMON_NAME>
Genisteone

> <SYSTEMATIC_NAME>
7-beta-D-glycopyranosyl-5,4'-dihydroxy-6-prenylisoflavone

> <FORMULA>
C26H28O10

> <MASS>
500.17

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
7-O-glucosylwighteone

> <INCHI_KEY>
GOUJYQCSCPQKDS-OMJUENHASA-N

> <INCHI>
InChI=1S/C26H28O10/c1-12(2)3-8-15-17(35-26-25(33)24(32)23(31)19(10-27)36-26)9-18-20(21(15)29)22(30)16(11-34-18)13-4-6-14(28)7-5-13/h3-7,9,11,19,23-29,31-33H,8,10H2,1-2H3/t19-,23-,24+,25-,26-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)=CC2OC=C(C3=CC=C(O)C=C3)C(=O)C=2C(O)=C1C/C=C(/C)\C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10791517

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
123905

> <CITATION>
9834164

$$$$