LMPK12040002
  LIPID_MAPS_STRUCTURE_DATABASE

 43 48  0     0  0            999 V2000
    7.6059   12.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6059   11.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791   10.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3523   11.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3523   12.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791   12.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2255   10.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0989   11.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0989   12.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2255   12.9148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9721   12.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   12.9148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8453   12.4106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7186   12.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7186   13.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8453   14.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9721   13.9231    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5918   14.4274    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791    9.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9721   10.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9721    9.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8453    9.3855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7186    9.8898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7186   10.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8453   11.4023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0989    9.3855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0989    8.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9721    7.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8453    8.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2255    7.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2255    9.8898    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3523    8.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791    7.8731    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4791    6.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3523    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2255    6.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6059    8.3773    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6059    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.8647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9721    6.8647    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7186    7.8731    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5918    9.3855    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8441   12.0103    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  6  0  0  0
  1 12  1  0  0  0  0
 11 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 17  2  0  0  0  0
 17 11  1  0  0  0  0
 15 18  1  0  0  0  0
  3 19  1  0  0  0  0
  8 20  1  1  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 20  2  0  0  0  0
 21 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 22  1  0  0  0  0
 27 30  1  1  0  0  0
  7 31  2  0  0  0  0
 30 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 30  2  0  0  0  0
 33 37  1  0  0  0  0
 34 38  1  0  0  0  0
 38 39  1  0  0  0  0
 28 40  1  6  0  0  0
 29 41  2  0  0  0  0
 23 42  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
> <LM_ID>
LMPK12040002

> <COMMON_NAME>
Kolaflavanone

> <SYSTEMATIC_NAME>


> <FORMULA>
C31H24O12

> <MASS>
588.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Biflavonoids and polyflavonoids [PK1204]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GJWXCPDVDRIBKP-CNTBMXMRSA-N

> <INCHI>
InChI=1S/C31H24O12/c1-41-20-7-4-13(8-16(20)34)30-28(40)27(39)24-19(37)11-18(36)23(31(24)43-30)25-26(38)22-17(35)9-15(33)10-21(22)42-29(25)12-2-5-14(32)6-3-12/h2-11,25,28-30,32-37,40H,1H3/t25-,28-,29+,30+/m0/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C=CC(O)=CC=3)[C@@H](C3=C(O)C=C(O)C4C(=O)[C@H](O)[C@@H](C5=CC=C(OC)C(O)=C5)OC3=4)C(=O)C=2C(O)=C1

> <KEGG_ID>
C09761

> <HMDB_ID>
-

> <CHEBI_ID>
28521

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
155169

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
469930

> <CITATION>
-

$$$$