LMPR0106090002
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.6082    8.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6082    7.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4839    7.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3595    7.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3595    8.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4839    9.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2351    7.2362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1108    7.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1108    8.7530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2351    9.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9864    9.2584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9864   10.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1108   10.7751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2351   10.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9481    8.9461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5424    9.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9481   10.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9481   11.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8237   12.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6994   11.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5750   12.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4506   11.5931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3263   12.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4506   10.5820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0725   12.0987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9783    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9894    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3595    9.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9864    8.4996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9864   11.1332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3595    6.7307    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9481   12.6042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6628   10.9241    0.0000 H   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
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 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 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 18 25  1  6  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  5 28  1  1  0  0  0
 11 29  1  1  0  0  0
 12 30  1  6  0  0  0
  2 31  1  1  0  0  0
  4 32  1  6  0  0  0
 18 33  1  1  0  0  0
 17 34  1  1     0  0
M  END
> <LM_ID>
LMPR0106090002

> <COMMON_NAME>
(+)-Euphol

> <SYSTEMATIC_NAME>
(20R)-(+)-triucalla-8,24-diene-3beta-ol

> <FORMULA>
C30H50O

> <MASS>
426.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Tirucallane/euphane triterpenoids [PR010609]

> <SYNONYMS>


> <INCHI_KEY>
CAHGCLMLTWQZNJ-WZLOIPHISA-N

> <INCHI>
InChI=1S/C30H50O/c1-20(2)10-9-11-21(3)22-14-18-30(8)24-12-13-25-27(4,5)26(31)16-17-28(25,6)23(24)15-19-29(22,30)7/h10,21-22,25-26,31H,9,11-19H2,1-8H3/t21-,22+,25+,26+,28-,29+,30-/m1/s1

> <SMILES>
C1C[C@]2(C)C3CC[C@@]4(C)[C@]([H])([C@]([H])(C)CC/C=C(\C)/C)CC[C@]4(C)C=3CC[C@@]2([H])C(C)(C)[C@H]1O

> <KEGG_ID>
C08624

> <HMDB_ID>
HMDB0031438

> <CHEBI_ID>
4940

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441678

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
142860

> <CITATION>
6592593

$$$$