LMPK12110184
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0  0  0  0  0  0  0  0999 V2000
    7.6894    6.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6894    7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433    7.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433    6.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4356    6.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1818    6.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1818    7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4356    7.8850    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9280    7.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6741    7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4203    7.8850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4203    8.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6741    9.1774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9279    8.7466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4356    5.4647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1971    6.5926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1971    7.4542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7641    8.7277    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9073    8.8178    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5569    8.0307    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1146    9.5148    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4743   10.0914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7281    9.6606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0951   10.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9188   10.5359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1807    8.8178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5110    8.7277    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8350    9.5148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9433    5.4308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1971    5.0000    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 17  2  0  0  0  0
 16  4  2  0  0  0  0
  4  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  5 15  2  0  0  0  0
 17 16  1  0  0  0  0
  3 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 17  1  0  0  0  0
 18 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 19  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  0  0  0  0
 21 28  1  6  0  0  0
 19 26  1  6  0  0  0
 18 27  1  6  0  0  0
  4 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <LM_ID>
LMPK12110184

> <COMMON_NAME>
Multijuginol

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H20O6

> <MASS>
380.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LWPLUSZMJGIFAR-NRSPTQNISA-N

> <INCHI>
InChI=1S/C22H20O6/c1-22(2)20(24)18-17-15(27-21(18)28-22)10-14(25-3)16-12(23)9-13(26-19(16)17)11-7-5-4-6-8-11/h4-10,18,20-21,24H,1-3H3/t18-,20-,21+/m1/s1

> <SMILES>
C12C(=O)C=C(C3C=CC=CC=3)OC=1C1[C@]3([H])[C@@H](O)C(C)(C)O[C@]3([H])OC=1C=C2OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184897

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257644

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$