LMPK12140725
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
    9.4170   -7.4349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4198   -8.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2989   -8.9484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1715   -8.4425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1714   -7.4308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0521   -8.9482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9236   -8.4422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9215   -7.4268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0474   -6.9249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7975   -6.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6715   -7.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5475   -6.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5473   -5.9052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6712   -5.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7952   -5.9056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0521   -9.9598    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5409   -6.9291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4177   -4.3960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4177   -5.4074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2942   -5.9135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5414   -3.8902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2937   -3.8903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2989   -9.8071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587   -8.8828    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8171   -8.3970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7907   -8.9403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6710   -4.3997    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6727   -8.4229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0     0  0
  2  3  1  0     0  0
  3  4  2  0     0  0
  4  5  1  0     0  0
  5  6  2  0     0  0
  6  1  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  9 11  1  6     0  0
 11 12  2  0     0  0
 12 13  1  0     0  0
 13 14  2  0     0  0
 14 15  1  0     0  0
 15 16  2  0     0  0
 16 11  1  0     0  0
  7 17  2  0     0  0
  1 18  1  0     0  0
  6 21  1  0     0  0
 19 20  2  0     0  0
 20 21  1  0     0  0
 19 22  1  0     0  0
 19 23  1  0     0  0
  3 24  1  0     0  0
  2 25  1  0     0  0
 25 26  1  0     0  0
  8 27  1  1     0  0
 15 28  1  0     0  0
 12 29  1  0     0  0
M  END
> <LM_ID>
LMPK12140725

> <COMMON_NAME>
Paraibanol

> <SYSTEMATIC_NAME>
3R,5,7,3',6'-Pentahydroxy-6-methoxy-8-prenylflavanone

> <FORMULA>
C21H22O8

> <MASS>
402.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
VEBIVOSWNKMMPH-AZUAARDMSA-N

> <INCHI>
InChI=1S/C21H22O8/c1-9(2)4-6-11-15(24)21(28-3)17(26)14-16(25)18(27)20(29-19(11)14)12-8-10(22)5-7-13(12)23/h4-5,7-8,18,20,22-24,26-27H,6H2,1-3H3/t18-,20+/m0/s1

> <SMILES>
C1(O)C(C/C=C(\C)/C)=C2O[C@H](C3C=C(O)C=CC=3O)[C@@H](O)C(=O)C2=C(O)C=1OC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15895374

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 3837

> <CITATION>
-

$$$$