LMPK12020243
  LIPID_MAPS_STRUCTURE_DATABASE

 31 34  0     0  0            999 V2000
    7.5890    7.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5890    6.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4457    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3025    6.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3025    7.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4457    8.0391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1592    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0159    6.5553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0159    7.5446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1592    8.0391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8724    8.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7455    7.5349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6187    8.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6187    9.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7455    9.5514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8724    9.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.0389    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4919    9.5514    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7455   10.5594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4917    7.5351    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9994    9.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9994   10.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1284   11.0600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1284   12.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2574   10.5571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3650    8.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3650    9.0472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4915    6.5271    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2379    7.5349    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.2380    9.5513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3181    8.7919    0.0000 C   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
 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 14  1  0  0  0  0
 15 19  1  0  0  0  0
 13 20  1  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 18  1  0  0  0  0
 20 28  1  0  0  0  0
 26 29  1  0  0  0  0
 27 30  1  0  0  0  0
 27 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020243

> <COMMON_NAME>
Broussoflavan A

> <SYSTEMATIC_NAME>
(2S)-3,3',4,4'-Tetrahydro-2',2'-dimethyl-7'-(3-methyl-2-butenyl)-2,6'-bi [2H-1-benzopyran]-3',4',7,8'-tetrol

> <FORMULA>
C25H30O6

> <MASS>
426.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YJRPYTOREHMPPM-HRRASNIPSA-N

> <INCHI>
InChI=1S/C25H30O6/c1-13(2)5-9-16-17(19-10-7-14-6-8-15(26)11-20(14)30-19)12-18-22(28)24(29)25(3,4)31-23(18)21(16)27/h5-6,8,11-12,19,22,24,26-29H,7,9-10H2,1-4H3/t19-,22?,24?/m0/s1

> <SMILES>
C1(O)=CC2O[C@H](C3C(C/C=C(\C)/C)=C(O)C4OC(C)(C)C(O)C(O)C=4C=3)CCC=2C=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
193255

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257178

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 119260

> <CITATION>
-

$$$$