LMPK12110015
  LIPID_MAPS_STRUCTURE_DATABASE

 28 32  0  0  0  0  0  0  0  0999 V2000
    7.6205    6.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6205    6.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8752    7.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8752    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3658    5.6963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1111    6.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1111    6.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3658    7.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8565    7.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6017    6.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3471    7.4175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3471    8.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6017    8.7085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8565    8.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3658    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1299    6.1266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1299    6.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6963    8.2593    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8404    8.3493    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4903    7.5631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0463    9.0455    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4067    9.6214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6615    9.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0280   10.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8508   10.0654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7659    9.0455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4580    8.2593    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1807    8.5260    0.0000 H   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 26  1  6  0  0  0
 18 27  1  6  0  0  0
 19 28  1  6  0  0  0
M  END
> <LM_ID>
LMPK12110015

> <COMMON_NAME>
Semiglabrinol

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H18O5

> <MASS>
350.12

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XBKLVCYSINXGAW-RLLQIKCJSA-N

> <INCHI>
InChI=1S/C21H18O5/c1-21(2)19(23)17-16-14(25-20(17)26-21)9-8-12-13(22)10-15(24-18(12)16)11-6-4-3-5-7-11/h3-10,17,19-20,23H,1-2H3/t17-,19-,20+/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=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
188973

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11035494

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$