LMPK12111525
  LIPID_MAPS_STRUCTURE_DATABASE

 33 36  0  0  0  0  0  0  0  0999 V2000
    9.1382    7.2816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1431    8.1343    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8719    6.8509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6152    7.2732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6201    8.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8840    8.5565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0971    8.1176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3610    8.5481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4094    8.5649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6659    8.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6612    7.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3948    6.8593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8300    8.5532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8270    9.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0908    9.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3578    9.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3948    6.0066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8719    5.9982    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5656    9.8455    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0094    6.7028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7602    6.7201    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1010    7.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1866    5.9815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4483    5.5552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9254    6.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6130    5.2430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9730    8.5427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2345    8.1163    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9281    6.8667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2557    7.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5806    6.8652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5806    6.1741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.2004    0.0000 C   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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  2  1  0  0  0  0
  7  8  1  0  0  0  0
  8  5  1  0  0  0  0
  2  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12  1  2  0  0  0  0
  7 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  8  2  0  0  0  0
 12 17  1  0  0  0  0
  3 18  2  0  0  0  0
 14 19  1  0  0  0  0
  4 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22  7  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 10 27  1  0  0  0  0
 27 28  1  0  0  0  0
 11 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
M  END
> <LM_ID>
LMPK12111525

> <COMMON_NAME>
Artonin S

> <SYSTEMATIC_NAME>


> <FORMULA>
C26H28O7

> <MASS>
452.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavones and Flavonols [PK1211]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AZRHPJPAQJTIOC-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C26H28O7/c1-13(2)6-8-15-18(31-5)12-20-22(23(15)28)24(29)17-11-21(26(3,4)30)32-19-10-14(27)7-9-16(19)25(17)33-20/h6-7,9-10,12,21,27-28,30H,8,11H2,1-5H3

> <SMILES>
C12=C(O)C(C/C=C(/C)\C)=C(OC)C=C1OC1C3=CC=C(O)C=C3OC(C(O)(C)C)CC=1C2=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
190349

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44258666

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$