LMPK12140497
  LIPID_MAPS_STRUCTURE_DATABASE

 37 39  0  0  0  0  0  0  0  0999 V2000
   13.0137    8.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0367    7.5498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9933    7.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7992    7.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8167    8.5847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9234    9.1078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7283    7.0457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5577    7.5391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5463    8.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7046    9.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.4257    9.1132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2764    8.6374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1518    9.1280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1770   10.1432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3011   10.6721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4144   10.1795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7283    6.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1346    9.0468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.0407   10.6418    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9933    6.1945    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.2764    7.7568    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9438   10.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1414   11.0054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3805   10.5661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3805    9.7686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5923   11.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2163    7.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3369    7.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4575    7.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4575    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5782    7.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6988    7.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8194    7.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9401    7.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9401    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    7.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5806   10.6609    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
 12 21  1  0  0  0  0
  6 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
  2 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
 16 37  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140497

> <COMMON_NAME>
Tomentosanol E

> <SYSTEMATIC_NAME>
5,7,2',4',6'-Pentahydroxy-8-prenyl-6-geranylflavanone

> <FORMULA>
C30H36O7

> <MASS>
508.25

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
YRULPRHKGJUFLO-SMVBDFJKSA-N

> <INCHI>
InChI=1S/C30H36O7/c1-16(2)7-6-8-18(5)10-12-20-28(35)21(11-9-17(3)4)30-27(29(20)36)24(34)15-25(37-30)26-22(32)13-19(31)14-23(26)33/h7,9-10,13-14,25,31-33,35-36H,6,8,11-12,15H2,1-5H3/b18-10+/t25-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608035

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 256637

> <CITATION>
-

$$$$