LMPR0106090001
  LIPID_MAPS_STRUCTURE_DATABASE

 34 37  0     0  0            999 V2000
    7.6117    8.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6117    7.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4910    7.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3702    7.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3702    8.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4910    9.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2493    7.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1285    7.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1285    8.7626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2493    9.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0077    9.2703    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0077   10.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1285   10.7931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2493   10.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9733    8.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5700    9.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9733   10.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9733   11.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8525   12.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7316   11.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6108   12.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4900   11.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3692   12.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4900   10.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0940   12.1219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9834    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9985    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3702    9.7778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0077    8.5083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0077   11.1526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7980   10.8201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3702    6.7322    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9733   12.6295    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  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  1  0  0  0
 12 30  1  6  0  0  0
 17 31  1  1  0  0  0
  2 32  1  1  0  0  0
  4 33  1  6  0  0  0
 18 34  1  6  0  0  0
M  END
> <LM_ID>
LMPR0106090001

> <COMMON_NAME>
(+)-Tirucallol

> <SYSTEMATIC_NAME>
(20S)-(+)-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-HGKXYCPESA-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+/m0/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>
-

> <HMDB_ID>
HMDB0037032

> <CHEBI_ID>
175463

> <ABBREVIATION>
-

> <CAYMAN_ID>
35623

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101257

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
142860

> <CITATION>
6592593

$$$$