LMPK12140511
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0  0  0  0  0  0  0  0999 V2000
    8.9326    7.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9326    6.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6419    5.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3512    6.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3512    7.0471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6419    7.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0605    5.8187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7698    6.2282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7698    7.0471    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.0605    7.4567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4788    7.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2017    7.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9245    7.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9245    8.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2017    8.7086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4788    8.2913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0605    5.1253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6419    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6472    8.7085    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2236    7.4565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6419    8.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9326    8.6853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2236    8.2757    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.6474    9.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9245    9.9608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2017    9.5433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3866    8.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5612    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6431    8.9380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2450    9.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4614    9.6275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0321   10.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.8283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2639   10.1598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3163    9.1571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2017    6.3822    0.0000 O   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  1  2  0  0  0  0
  4  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  5  1  0  0  0  0
  9 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 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 11  1  0  0  0  0
  7 17  2  0  0  0  0
  3 18  1  0  0  0  0
 14 19  1  0  0  0  0
  1 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 20  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 26 15  1  0  0  0  0
 23 27  1  0  0  0  0
 23 28  1  0  0  0  0
 28 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
 24 34  1  0  0  0  0
 24 35  1  0  0  0  0
 12 36  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140511

> <COMMON_NAME>
Flemichin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H32O6

> <MASS>
488.22

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KKHKTWUGRNQGDU-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C30H32O6/c1-17(2)7-6-10-30(5)12-9-19-26(36-30)16-23(33)27-22(32)15-25(34-28(19)27)20-13-18-8-11-29(3,4)35-24(18)14-21(20)31/h7-9,11-14,16,25,31,33H,6,10,15H2,1-5H3

> <SMILES>
C12OC(CC/C=C(\C)/C)(C)C=CC=1C1OC(C3C=C4C=CC(C)(C)OC4=CC=3O)CC(=O)C=1C(O)=C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608042

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$