LMPR0106140012
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
    8.4513    9.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5909    8.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1721    7.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326    7.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326   10.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1721   10.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3118    8.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326    8.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3118    7.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3118    6.5319    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1721    9.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1721    8.0221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8929   11.0025    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7532    9.5124    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3118    9.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0326    9.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8929    8.0221    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7532    8.5189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6137    9.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9479   11.5815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8929    9.0156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7532   10.5058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8929   10.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3521   10.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9599   11.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2952   12.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6022   13.1608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3234   12.0094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6137   10.0091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9556    6.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4513    7.0286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8914    6.0587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5909    7.5255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7305    7.0286    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6298    9.5725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7586    7.5223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  2 33  1  0  0  0  0
 33 31  1  0  0  0  0
 31  9  1  0  0  0  0
 11  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  8  1  0  0  0  0
  8 21  1  0  0  0  0
 11  8  1  0  0  0  0
  6 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  9 10  1  6  0  0  0
 11 12  1  6  0  0  0
 23 13  1  6  0  0  0
 22 14  1  6  0  0  0
  7 15  1  1  0  0  0
 21 17  1  6  0  0  0
  8 16  1  1  0  0  0
 24 20  1  0  0  0  0
 25 20  1  0  0  0  0
 22 25  1  0  0  0  0
 29 24  1  0  0  0  0
 25 26  1  6  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 29 35  1  1  0  0  0
 23 21  1  0  0  0  0
 21 18  1  0  0  0  0
 18 19  1  0  0  0  0
 22 23  1  0  0  0  0
 22 29  1  0  0  0  0
 29 19  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  0  0  0  0
 33 34  1  6  0  0  0
 17 36  1  0     0  0
M  END
> <LM_ID>
LMPR0106140012

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
lup-20(29)-ene-3alpha-27-diol

> <FORMULA>
C30H50O2

> <MASS>
442.38

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Lupane triterpenoids [PR010614]

> <SYNONYMS>


> <INCHI_KEY>
XHOGEOQSRLNKKB-MUDSBDPBSA-N

> <INCHI>
InChI=1S/C30H50O2/c1-19(2)20-10-13-27(5)16-17-30(18-31)21(25(20)27)8-9-23-28(6)14-12-24(32)26(3,4)22(28)11-15-29(23,30)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21-,22-,23+,24+,25+,27+,28-,29+,30-/m0/s1

> <SMILES>
C1[C@@]2(C)[C@@]([H])(CC[C@]3(C)[C@]2([H])CC[C@]2([C@@]4([C@](CC[C@@]32CO)(C)CC[C@H]4C(C)=C)[H])[H])C(C)(C)[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11744095

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
23211

> <CITATION>
14577699

$$$$