LMPR0106130002
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0  0  0  0  0  0  0  0999 V2000
   10.6320    7.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6389    8.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9284    6.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3252    6.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6251    6.5036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3424    8.5144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9422    8.5316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2318    7.3211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9284    6.1002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9215    7.7280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0288    7.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0426    8.1039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3424    9.3248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2387    8.1350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5248    6.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2249    5.6966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7462    8.5109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7358    7.7038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7462    9.3214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1286   10.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5213    6.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8247    7.3245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5144    7.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3423   10.3319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7046   10.6940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8247    5.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1141    6.9210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1141    6.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4073    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2212    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4106    5.7035    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7036    6.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    5.7070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7001    6.9244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6320    8.9385    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3424    7.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2249    6.5105    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5527    9.5421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5110    5.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  6  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  1  0  0  0
  4 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
 12 17  1  0  0  0  0
 12 18  1  1  0  0  0
 13 19  1  0  0  0  0
 13 20  1  6  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
 15 23  1  1  0  0  0
 20 24  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 22 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 26 30  1  0  0  0  0
 28 31  1  1  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
  8 14  1  0  0  0  0
 11 12  1  0  0  0  0
 16 21  1  0  0  0  0
 17 19  1  0  0  0  0
 27 28  1  0  0  0  0
  2 35  1  1  0  0  0
  6 36  1  6  0  0  0
  8 37  1  6  0  0  0
 13 38  1  1  0  0  0
 21 39  1  6  0  0  0
M  END
> <LM_ID>
LMPR0106130002

> <COMMON_NAME>
Lupeol acetate

> <SYSTEMATIC_NAME>


> <FORMULA>
C32H52O2

> <MASS>
468.40

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Baccharane triterpenoids [PR010613]

> <SYNONYMS>


> <INCHI_KEY>
ODSSDTBFHAYYMD-YOJQYFTNSA-N

> <INCHI>
InChI=1S/C32H52O2/c1-20(2)22-12-15-29(6)18-19-31(8)23(27(22)29)10-11-25-30(7)16-14-26(34-21(3)33)28(4,5)24(30)13-17-32(25,31)9/h22-27H,1,10-19H2,2-9H3/t22-,23+,24-,25+,26-,27+,29+,30-,31+,32+/m0/s1

> <SMILES>
[C@@]12(C)CC[C@@]3(C)CC[C@@]([H])(C(=C)C)[C@]3([H])[C@@]1([H])CC[C@]1([H])[C@@]3(C)CC[C@H](OC(=O)C)C(C)(C)[C@]3([H])CC[C@@]21C

> <KEGG_ID>
C08630

> <HMDB_ID>
-

> <CHEBI_ID>
69744

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92157

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$