LMPK12020072
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
   10.5091    8.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5091    7.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3721    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2352    7.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2352    8.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3721    9.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0983    7.0571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9613    7.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9613    8.5521    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0983    9.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8245    9.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7041    8.5426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5837    9.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5837   10.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7041   10.5740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8245   10.0662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4469   10.5645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3721    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8245    7.0572    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7041   11.5708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3721   10.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2502   10.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2502   11.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4499   12.3796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6498   11.9177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6498   10.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4499   10.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7868   10.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7868    9.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236   10.9937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   10.4954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1132   12.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4499   13.3763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4499    9.5353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6462    9.0504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9236   11.9904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7868   12.4160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7868   13.2751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  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
 14 17  1  0  0  0  0
  3 18  1  0  0  0  0
  8 19  1  1  0  0  0
 15 20  1  0  0  0  0
  6 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 22  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 23 32  1  0  0  0  0
 24 33  1  0  0  0  0
 27 34  1  0  0  0  0
  1 35  1  0  0  0  0
 30 36  1  0  0  0  0
 25 37  1  0  0  0  0
 37 38  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020072

> <COMMON_NAME>
Pilosanol B

> <SYSTEMATIC_NAME>
(1S)-1,2,3,4,4aalpha,5,6,8a-Octahydro-4alpha-[(Z)-5-hydroxy-3-hydroxymethyl-3-pentenyl]-8,8abeta-bis (hydroxymethyl)-3beta,4-dimethylnaphthalen-1beta-ol

> <FORMULA>
C28H30O10

> <MASS>
526.18

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

> <SUB_CLASS>
Flavans, Flavanols and Leucoanthocyanidins [PK1202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
KAAFBPHWBXQTAW-KDYSTLNUSA-N

> <INCHI>
InChI=1S/C28H30O10/c1-11(2)23(34)22-25(36)16(24(35)12(3)26(22)37-4)8-14-18(30)10-19(31)15-9-21(33)27(38-28(14)15)13-5-6-17(29)20(32)7-13/h5-7,10-11,21,27,29-33,35-36H,8-9H2,1-4H3/t21-,27+/m0/s1

> <SMILES>
C1(O)=C(CC2C(O)=C(C(C(C)C)=O)C(OC)=C(C)C=2O)C2O[C@H](C3C=C(O)C(O)=CC=3)[C@@H](O)CC=2C(O)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187756

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257097

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74656

> <CITATION>
-

$$$$