LMPK12140044
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    7.7483    6.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6670    7.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6670    8.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7483    9.0501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8295    8.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8295    7.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858    6.9282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5045    7.4587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5045    8.5196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858    9.0501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5858    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7483   10.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8749   10.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8749   11.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0904   11.9271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8749   12.3175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6801   11.9391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5911    9.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4443    8.5444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2975    9.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2975   10.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4443   10.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5911   10.0224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0356   10.4484    0.0000 O   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
  2  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  3  1  0  0  0  0
  7 11  2  0  0  0  0
  5 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  2  0  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 19  1  0  0  0  0
 19  9  1  0  0  0  0
 22 25  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140044

> <COMMON_NAME>
Brosimacutin C

> <SYSTEMATIC_NAME>
2,3-Dihydro-2-(4-hydroxyphenyl)-7-hydroxy-8-(3-hydroxy-3-methylbutyl)-4H-1-benzopyran-4-one

> <FORMULA>
C20H22O5

> <MASS>
342.15

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
RFBOXBGSYTWSBN-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C20H22O5/c1-20(2,24)10-9-15-16(22)8-7-14-17(23)11-18(25-19(14)15)12-3-5-13(21)6-4-12/h3-8,18,21-22,24H,9-11H2,1-2H3

> <SMILES>
C1C=C(O)C(CCC(C)(O)C)=C2OC(C3C=CC(O)=CC=3)CC(=O)C=12

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
179063

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10936790

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 1835378

> <CITATION>
12502325

$$$$