LMPK12113417
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
   14.2768   -9.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3596   -8.7216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2715  -10.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3489  -10.8460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4316  -10.3102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4369   -9.2480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4996  -10.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5731  -10.2667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5784   -9.2045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5104   -8.6950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6414  -10.7878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7274  -10.2469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7357   -9.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6642   -8.6635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8215   -8.6384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8360   -7.5816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7555   -7.0603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6697   -7.6014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6304  -11.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6348   -6.7973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1038   -7.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4892  -11.8081    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8438  -10.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5646  -10.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8353  -11.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3647   -7.7216    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  2  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  6  1  0  0  0  0
  8 11  2  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  9  2  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 14  1  0  0  0  0
 11 19  1  0  0  0  0
 16 20  1  0  0  0  0
 16 21  1  0  0  0  0
  7 22  2  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  2  0  0  0  0
  2 26  2  0     0  0
M  END
> <LM_ID>
LMPK12113417

> <COMMON_NAME>
Artonol A

> <SYSTEMATIC_NAME>
11-hydroxy-2,2-dimethyl-8-(prop-1-en-2-yl)-2,6,7,8,9,10-hexahydro-1,5-dioxatetraphene-6,10-dione

> <FORMULA>
C21H20O5

> <MASS>
352.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XCESLDIMJGQRPW-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C21H20O5/c1-10(2)11-7-13-18(24)17-14(22)9-16-12(5-6-21(3,4)26-16)20(17)25-19(13)15(23)8-11/h5-6,9,11,22H,1,7-8H2,2-4H3

> <SMILES>
C1C(C(=C)C)CC2C(=O)C3=C(O)C=C4OC(C)(C)C=CC4=C3OC=2C1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
175508

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10736715

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 194251

> <CITATION>
-

$$$$