LMPK12140300
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0  0  0  0  0  0  0  0999 V2000
    6.2724    7.0491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2911    6.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0719    5.8542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7300    6.2573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7442    7.0862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0151    7.5132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4886    5.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1656    6.2327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1564    7.1032    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4692    7.4883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    7.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5687    7.1294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2836    7.5298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3042    8.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5889    8.7904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8650    8.3883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4886    5.0844    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.4636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0094    8.7657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0719    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0151    8.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    8.6855    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5791    8.2710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2971    9.5145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0151    9.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5791    9.9290    0.0000 C   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
 22 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
M  END
> <LM_ID>
LMPK12140300

> <COMMON_NAME>
Tomentosanol D

> <SYSTEMATIC_NAME>
5,7,4'-Trihydroxy-8-(2-hydroxy-3-methylbutyl-3-enyl)flavanone

> <FORMULA>
C20H20O6

> <MASS>
356.13

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavanones [PK1214]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BCWBBALYWWRPII-IBYPIGCZSA-N

> <INCHI>
InChI=1S/C20H20O6/c1-10(2)14(22)7-13-15(23)8-16(24)19-17(25)9-18(26-20(13)19)11-3-5-12(21)6-4-11/h3-6,8,14,18,21-24H,1,7,9H2,2H3/t14?,18-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
197145

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42607933

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090

> <CITATION>
-

$$$$