LMPR0106160006
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0  0  0  0  0  0  0  0999 V2000
    8.4140   -7.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4140   -8.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2967   -9.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1795   -8.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1795   -7.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2967   -7.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0623   -9.4505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9451   -8.9408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9451   -7.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0623   -7.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8278   -7.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8278   -6.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9451   -5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0623   -6.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7870  -10.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8064  -10.3332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1795   -6.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9451   -7.1515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7106   -7.9215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5934   -7.4118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5934   -6.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7106   -5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4762   -5.8827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4762   -4.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5934   -4.3538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7106   -4.8635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0837   -3.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1031   -3.4709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8278   -5.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7106   -6.6265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6931   -9.6616    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4762   -6.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0623   -8.2400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4762   -7.9021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3422   -6.4021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5479   -7.4215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1674   -9.4620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  5  1  0     0  0
  9 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 10  1  0     0  0
  3 15  1  0     0  0
  3 16  1  0     0  0
  5 17  1  1     0  0
  9 18  1  1     0  0
 11 19  2  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 12  1  0     0  0
 21 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 22  1  0     0  0
 25 27  1  0     0  0
 25 28  1  0     0  0
 12 29  1  6     0  0
 22 30  1  1     0  0
  2 31  1  1     0  0
 21 32  1  1     0  0
 10 33  1  6     0  0
 32 34  1  0     0  0
 32 35  2  0     0  0
  1 36  1  6     0  0
  4 37  1  6     0  0
M  END
> <LM_ID>
LMPR0106160006

> <COMMON_NAME>
Sebiferenic acid

> <SYSTEMATIC_NAME>
2alpha,3beta-dlhydroxytaraxer-14-en-28-olc acid

> <FORMULA>
C30H48O4

> <MASS>
472.36

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Taraxerane, multiflorane, glutinane and friedelane triterpenoids [PR010616]

> <SYNONYMS>


> <INCHI_KEY>
JMJVYEINATYJHM-KLXPJGLFSA-N

> <INCHI>
InChI=1S/C30H48O4/c1-25(2)14-15-30(24(33)34)13-10-20-27(5)11-8-19-26(3,4)23(32)18(31)16-29(19,7)21(27)9-12-28(20,6)22(30)17-25/h10,18-19,21-23,31-32H,8-9,11-17H2,1-7H3,(H,33,34)/t18-,19+,21+,22+,23+,27+,28-,29+,30-/m1/s1

> <SMILES>
[C@@H]1(O)C[C@]2(C)[C@@]3([H])CC[C@@]4(C)[C@]5([H])CC(C)(C)CC[C@]5(C(=O)O)CC=C4[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
175719

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
44575645

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
139772

> <CITATION>
-

$$$$