LMPK12020071
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0     0  0            999 V2000
   11.3802    8.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3802    7.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2446    7.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1089    7.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1089    8.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2446    9.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9733    7.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8377    7.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8377    8.5560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9733    9.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7020    9.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5830    8.5466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4640    9.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4640   10.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5830   10.5810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7020   10.0723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3283   10.5715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2446    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7020    7.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.5830   11.5791    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2446   10.3527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1208   11.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1208   11.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3195   12.3894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5181   11.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5181   11.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3195   10.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6537   10.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6537    9.5042    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7894   11.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9250   10.5022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9852   12.4258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3195   13.3875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3195    9.5405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5158    9.0551    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7894   11.9995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.0014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6537   12.4258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6537   13.2263    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
 31 37  1  0  0  0  0
 25 38  1  0  0  0  0
 38 39  1  0  0  0  0
M  END
> <LM_ID>
LMPK12020071

> <COMMON_NAME>
Pilosanol A

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

> <FORMULA>
C29H32O10

> <MASS>
540.20

> <CATEGORY>
Polyketides [PK]

> <MAIN_CLASS>
Flavonoids [PK12]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
AXODAJZSINDBPB-WAUBUFGSSA-N

> <INCHI>
InChI=1S/C29H32O10/c1-5-12(2)24(35)23-26(37)17(25(36)13(3)27(23)38-4)9-15-19(31)11-20(32)16-10-22(34)28(39-29(15)16)14-6-7-18(30)21(33)8-14/h6-8,11-12,22,28,30-34,36-37H,5,9-10H2,1-4H3/t12?,22-,28+/m0/s1

> <SMILES>
C1(O)=C(CC2C(O)=C(C(C(C)CC)=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>
185982

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44257096

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
33090; 74656

> <CITATION>
-

$$$$