LMPK12140114
  LIPID_MAPS_STRUCTURE_DATABASE

 32 34  0  0  0  0  0  0  0  0999 V2000
    8.5211    7.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3411    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1611    7.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1611    8.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3411    8.9005    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5211    8.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9812    7.0067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8013    7.4801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8013    8.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9812    8.9005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6206    8.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9812    6.1818    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4618    8.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3032    8.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3032    9.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4618   10.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6206    9.8715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3411    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7807   10.3565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4618    7.4445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3411   10.5943    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5211   11.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5211   12.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781   12.7019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781   10.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6350   11.0678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    9.4346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8490    8.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781   13.7887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6369   14.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5192   14.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326   10.0352    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
  3  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  4  1  0  0  0  0
  9 11  1  0  0  0  0
  7 12  2  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
  2 18  1  0  0  0  0
 17 19  1  0  0  0  0
 13 20  1  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  6 28  1  0  0  0  0
 24 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 25 32  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140114

> <COMMON_NAME>
Exiguaflavanone M

> <SYSTEMATIC_NAME>
5,7,2',6'-Tetrahydroxy-8-C-[5-methyl-2-(2-hydroxy-isopropyl)-4-hexenyl]flavanone

> <FORMULA>
C25H30O7

> <MASS>
442.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XSBKAPZUMVFRED-UHFFFAOYSA-N

> <INCHI>
InChI=1S/C25H30O7/c1-13(2)8-9-14(25(3,4)31)10-15-18(28)11-19(29)23-20(30)12-21(32-24(15)23)22-16(26)6-5-7-17(22)27/h5-8,11,14,21,26-29,31H,9-10,12H2,1-4H3

> <SMILES>
C1C(O)=C(CC(C(O)(C)C)C/C=C(\C)/C)C2OC(C3C(O)=CC=CC=3O)CC(=O)C=2C=1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
184841

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607846

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 2981873

> <CITATION>
-

$$$$