LMPR0106160005
  LIPID_MAPS_STRUCTURE_DATABASE

 52 56  0     0  0            999 V2000
    7.4486    8.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4486    7.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3255    6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2024    7.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2024    8.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3255    8.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0793    6.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9561    7.4438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9561    8.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0793    8.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8331    8.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8331    9.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9561   10.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0793    9.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8192    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8318    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2024    9.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7099    8.4562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5868    8.9626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5868    9.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7099   10.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4636   10.4813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4636   11.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5868   12.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7099   11.4938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0805   12.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0931   12.8770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8331   10.9876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7099    9.7427    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.7278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4636    9.4687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8331    7.9499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1685    6.6937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8666    7.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0006    6.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345    7.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8666    8.2278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685    6.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4025    7.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5365    6.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6704    7.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1956    6.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0616    7.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276    6.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9276    5.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0616    5.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1956    5.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6704    5.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5365    5.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4025    5.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2685    5.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1345    5.2278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  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  2  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  1  0  0  0
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 12  1  0  0  0  0
 20 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 21  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 12 28  1  6  0  0  0
 21 29  1  1  0  0  0
  2 30  1  1  0  0  0
 20 31  1  1  0  0  0
 11 32  1  1  0  0  0
  4 33  1  6     0  0
 30 34  1  0     0  0
 34 35  1  0     0  0
 35 36  1  0     0  0
 34 37  2  0     0  0
 36 38  1  0     0  0
 38 39  1  0     0  0
 39 40  1  0     0  0
 40 41  1  0     0  0
 41 42  1  0     0  0
 42 43  1  0     0  0
 43 44  1  0     0  0
 44 45  1  0     0  0
 45 46  1  0     0  0
 46 47  1  0     0  0
 47 48  1  0     0  0
 48 49  1  0     0  0
 49 50  1  0     0  0
 50 51  1  0     0  0
 51 52  1  0     0  0
M  END
> <LM_ID>
LMPR0106160005

> <COMMON_NAME>
O-octadecanoylisomultiflorenol

> <SYSTEMATIC_NAME>
8-isomultifloren-3beta-yloctadecanoate

> <FORMULA>
C48H84O2

> <MASS>
692.65

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C30 isoprenoids (triterpenes) [PR0106]

> <CLASS_LEVEL4>
Taraxerane, multiflorane, glutinane and friedelane triterpenoids [PR010616]

> <SYNONYMS>


> <INCHI_KEY>
GYXYCUBQFFMDPQ-NPLCQSHISA-N

> <INCHI>
InChI=1S/C48H84O2/c1-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-42(49)50-41-29-30-46(7)37-28-31-48(9)40-36-43(2,3)32-33-45(40,6)34-35-47(48,8)38(37)26-27-39(46)44(41,4)5/h39-41H,10-36H2,1-9H3/t39-,40+,41-,45+,46+,47+,48-/m0/s1

> <SMILES>
C1C[C@]2(C)C3CC[C@@]4(C)[C@]5([H])CC(C)(C)CC[C@]5(C)CC[C@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1OC(=O)CCCCCCCCCCCCCCCCC

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120902

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2043141

> <CITATION>
33203260

$$$$