LMPK12050235
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   10.6232    9.5312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4980    9.0262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3727    9.5312    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2471    9.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2471    7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1541    7.4556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0609    7.9792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0609    9.0264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1541    9.5499    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4984    8.0167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3727    7.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1541    6.4092    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.9673    7.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9673    6.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8341    5.9543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7012    6.4550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7012    7.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8341    7.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3563    6.5044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5681    5.9543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.5681    7.9567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4414    7.6105    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6870    6.8076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1193    7.9248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9595    9.6887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5102    9.2936    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7485    9.1295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6576    8.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7777    7.7678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9940    8.3265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0849    9.2868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3011    9.8454    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
 17 21  1  0  0  0  0
 26 32  1  0     0  0
 31 25  1  0     0  0
 25 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  1     0  0
 27  1  1  1     0  0
 28 22  1  6     0  0
 29 23  1  1     0  0
 30 24  1  6     0  0
M  END
> <LM_ID>
LMPK12050235

> <COMMON_NAME>
Orobol 7-O-glucoside

> <SYSTEMATIC_NAME>
3',4',5-Trihydroxy-7-(beta-D-glucopyranosyloxy)isoflavone

> <FORMULA>
C21H20O11

> <MASS>
448.10

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Isoflavonoids [PK1205]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Oroboside

> <INCHI_KEY>
WJHSRFQBVYHKKL-CMWLGVBASA-N

> <INCHI>
InChI=1S/C21H20O11/c22-6-15-18(27)19(28)20(29)21(32-15)31-9-4-13(25)16-14(5-9)30-7-10(17(16)26)8-1-2-11(23)12(24)3-8/h1-5,7,15,18-25,27-29H,6H2/t15-,18-,19+,20-,21-/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=C(O)C(O)=CC=3)=COC=2C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12313772

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 99387

> <CITATION>
-

$$$$