LMPR0106180033
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    7.5250   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3910   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3910   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6590   -5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6590   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5250   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3910   -2.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2570   -3.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2570   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1231   -2.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9891   -3.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9891   -4.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1231   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1230   -1.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9891   -1.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8551   -1.6748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8551   -2.6749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7929   -6.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9269   -5.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9269   -4.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7929   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7930   -7.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0609   -4.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1948   -4.6751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0608   -3.1750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7461   -3.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2570   -2.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2570   -1.1749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8083   -3.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3039   -3.6788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5264   -4.9598    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2449   -4.9212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1109   -3.3961    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9890   -0.1749    0.0000 C   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
  1  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  2  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
 11 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 12  1  0     0  0
  5 19  1  1     0  0
 19 20  1  0     0  0
 21 22  1  0     0  0
 19 23  1  0     0  0
 21 24  1  0     0  0
 24 25  1  0     0  0
 24 26  2  0     0  0
  6 22  1  6     0  0
  6 27  1  1     0  0
  9 28  1  1     0  0
 15 29  1  1     0  0
 12 30  1  1     0  0
  2 31  1  1     0  0
  1 32  1  6     0  0
 10 33  1  6     0  0
 11 34  1  6     0  0
 16 35  2  0     0  0
M  END
> <LM_ID>
LMPR0106180033

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3,4-seco-urs-20(30)-en-3-oic acid

> <FORMULA>
C30H50O2

> <MASS>
442.38

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Taraxastane, ursane and bauerane triterpenoids [PR010618]

> <SYNONYMS>


> <INCHI_KEY>
CXSHYRUNEXVKRX-OBHNEMDBSA-N

> <INCHI>
InChI=1S/C30H50O2/c1-19(2)22-10-16-29(7)23(28(22,6)18-13-25(31)32)12-17-30(8)24(29)11-15-27(5)14-9-20(3)21(4)26(27)30/h19,21-24,26H,3,9-18H2,1-2,4-8H3,(H,31,32)/t21-,22-,23+,24-,26-,27+,28-,29+,30-/m0/s1

> <SMILES>
[C@]12([H])CC[C@]3(C)[C@@]4([H])[C@@H](C)C(=C)CC[C@]4(C)CC[C@@]3([H])[C@]1(C)CC[C@@H](C(C)C)[C@]2(C)CCC(=O)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11640793

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
52823

> <CITATION>
16252914

$$$$