LMPR0106080002
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.2835    7.2392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835    6.3974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0125    5.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7415    6.3974    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7415    7.2392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0125    7.6601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    5.9765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1996    6.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1996    7.2392    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4705    7.6601    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9286    7.6601    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.9286    8.5019    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1996    8.9229    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4705    8.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292    7.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2240    8.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292    8.7621    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7292    9.6039    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.4583   10.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1873    9.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9163   10.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6453    9.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3744   10.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6453    8.7621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0002   10.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5916    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4334    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7415    8.0810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9286    7.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9286    9.2210    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1996    7.8751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4132    8.9453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.9765    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7415    5.5556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    6.8183    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7292   10.4457    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1996    9.7647    0.0000 O   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  1  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  1  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  1  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  6  0  0  0
 12 30  1  1  0  0  0
  9 31  1  1  0  0  0
 17 32  1  6  0  0  0
  2 33  1  6  0  0  0
  4 34  1  6  0  0  0
 10 35  1  6  0  0  0
 18 36  1  6  0  0  0
 13 37  1  1  0  0  0
M  END
> <LM_ID>
LMPR0106080002

> <COMMON_NAME>
(+)-24-Dammarene-3alpha,12beta,20S-triol

> <SYSTEMATIC_NAME>


> <FORMULA>
C30H52O3

> <MASS>
460.39

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Dammarane triterpenoids [PR010608]

> <SYNONYMS>


> <INCHI_KEY>
PYXFVCFISTUSOO-XPHLTCFUSA-N

> <INCHI>
InChI=1S/C30H52O3/c1-19(2)10-9-14-30(8,33)20-11-16-29(7)25(20)21(31)18-23-27(5)15-13-24(32)26(3,4)22(27)12-17-28(23,29)6/h10,20-25,31-33H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,27-,28+,29+,30+/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608288

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$