LMPK12020253
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
   11.6944    8.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6944    7.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5970    7.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4994    7.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4994    8.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5970    9.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4020    7.0848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3044    7.6056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3044    8.6477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4020    9.1689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2068    9.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1167    8.6436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0268    9.1689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0268   10.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1167   10.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2068   10.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7919    9.1689    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5926    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7778    7.1676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0371    6.1791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3161    7.1919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0583    9.1812    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    8.5515    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9243    8.6747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9172    7.6740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0441    7.1797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1837    7.6862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1908    8.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3302    9.1933    0.0000 C   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  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  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
  1 17  1  0  0  0  0
 18  3  1  0  0  0  0
 23 29  1  0     0  0
 28 22  1  0     0  0
 22 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  1     0  0
 24 17  1  1     0  0
 25 19  1  6     0  0
 26 20  1  1     0  0
 27 21  1  6     0  0
M  END
> <LM_ID>
LMPK12020253

> <COMMON_NAME>
Koaburanin

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H24O8

> <MASS>
404.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AAHNTCWRJBNODQ-UZQFATADSA-N

> <INCHI>
InChI=1S/C21H24O8/c22-10-17-18(24)19(25)20(26)21(29-17)27-12-8-14(23)13-6-7-15(28-16(13)9-12)11-4-2-1-3-5-11/h1-5,8-9,15,17-26H,6-7,10H2/t15?,17-,18-,19+,20-,21-/m1/s1

> <SMILES>
C1(O[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O2)C=C2OC(C3C=CC=CC=3)CCC2=C(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257184

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$