LMPR0106150022
  LIPID_MAPS_STRUCTURE_DATABASE

 38 42  0  0  0  0  0  0  0  0999 V2000
    6.2708    6.9598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2630    6.1337    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9719    5.7166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9874    7.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7026    6.9470    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4041    5.7023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1226    6.1081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167    7.3545    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1297    6.9311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1522    8.5874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4258    8.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8636    8.1602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    7.3307    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5530    6.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2827    7.3017    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.5905    8.5653    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3044    8.1274    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   12.0316    8.5288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0556    9.3609    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.3417    9.7987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6064    9.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6993    7.7732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1300    7.7601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.7242    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5510    5.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3747    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8310    6.5074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7816    9.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0110    7.7135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7289    8.1224    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4053    6.5284    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2622    6.9256    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6964    6.1207    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6964    5.2938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9210   10.5186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9233   10.3892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8744    8.9788    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7475    6.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2 24  1  1  0  0  0
  2  3  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 33  1  0  0  0  0
  5  4  1  0  0  0  0
  5 22  1  1  0  0  0
  5 33  1  0  0  0  0
  5  8  1  0  0  0  0
 33  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  8 31  1  6  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 23  1  1  0  0  0
 12 10  2  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  6  0  0  0
 14 15  1  0  0  0  0
 15 17  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  1  0  0  0  0
 17 29  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 28  1  1  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
 20 36  1  0  0  0  0
 29 30  2  0  0  0  0
 29 32  1  0  0  0  0
 33 34  1  6  0  0  0
 16 37  1  1  0  0  0
 15 38  1  6  0  0  0
M  END
> <LM_ID>
LMPR0106150022

> <COMMON_NAME>
Acacic acid

> <SYSTEMATIC_NAME>
3beta,16alpha,21beta-trihydroxyolean-12-en-28-oic acid

> <FORMULA>
C30H48O5

> <MASS>
488.35

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Oleanane triterpenoids [PR010615]

> <SYNONYMS>


> <INCHI_KEY>
CFKXWTNHIJAFNL-OOURDANISA-N

> <INCHI>
InChI=1S/C30H48O5/c1-25(2)14-18-17-8-9-20-27(5)12-11-21(31)26(3,4)19(27)10-13-28(20,6)29(17,7)15-23(33)30(18,24(34)35)16-22(25)32/h8,18-23,31-33H,9-16H2,1-7H3,(H,34,35)/t18-,19-,20+,21-,22-,23+,27-,28+,29+,30+/m0/s1

> <SMILES>
C1C[C@@]2([C@]3(CC=C4[C@]5([H])CC(C)(C)[C@@H](O)C[C@]5(C(O)=O)[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2([H])C(C)(C)[C@H]1O)[H])C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
70803

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12305894

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$