LMPK12140498
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0  0  0  0  0  0  0  0999 V2000
    7.6851    7.0478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7046    6.2058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5186    5.8024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2045    6.2225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2193    7.0865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4593    7.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9951    5.7768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7008    6.1968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6912    7.1042    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9749    7.5056    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4396    7.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1634    7.1315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9084    7.5488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9299    8.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1844    8.8628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4299    8.4437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9951    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9369    7.4799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6649    8.8370    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5186    5.0525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4593    8.3709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6525    8.8366    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9691    8.4421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3058    8.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5728    8.4019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5728    7.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    8.7325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6525    9.5643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2226    9.8934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0558    9.9088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1634    6.3486    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
  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
  7 17  2  0  0  0  0
  1 18  1  0  0  0  0
 14 19  1  0  0  0  0
  3 20  1  0  0  0  0
  6 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
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 22 28  1  1  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 12 31  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140498

> <COMMON_NAME>
Remangiflavanone B

> <SYSTEMATIC_NAME>
5,7,2',4'-Tetrahydroxy-8-(2-isopropyl-5-methyl-5-hexenyl)flavanone

> <FORMULA>
C25H28O6

> <MASS>
424.19

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CBIZXZGHIBJYRA-CMJOXMDJSA-N

> <INCHI>
InChI=1S/C25H28O6/c1-13(2)5-6-15(14(3)4)9-18-20(28)11-21(29)24-22(30)12-23(31-25(18)24)17-8-7-16(26)10-19(17)27/h7-8,10-11,15,23,26-29H,1,3,5-6,9,12H2,2,4H3/t15-,23+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
66298

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10741001

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$