LMPR0106150075
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0     0  0            999 V2000
    6.6766    4.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8108    4.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8108    3.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5428    3.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4088    2.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2748    3.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4088    5.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2748    6.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1408    5.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1408    4.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0069    4.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8731    4.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8731    5.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0069    6.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0069    7.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7390    7.1911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7390    6.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1408    3.6910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5428    2.1909    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7390    4.1910    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9446    2.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9722    1.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6766    2.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3812    1.7356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5775    8.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8731    7.6911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7390    5.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6050    5.6909    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2748    4.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2748    5.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4088    4.6909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4088    3.6910    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5428    4.1910    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5428    5.1909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0305    5.4311    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 33  1  0  0  0  0
 31 33  1  0  0  0  0
  4 33  1  0  0  0  0
 23  4  1  0  0  0  0
  5  4  1  0  0  0  0
  4 19  1  6  0  0  0
  2  1  1  0  0  0  0
  3 23  1  0  0  0  0
  3  2  1  0  0  0  0
  7 31  1  0  0  0  0
 29 31  1  0  0  0  0
  6 29  1  0  0  0  0
 10 29  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 11 10  1  0  0  0  0
  9 10  1  0  0  0  0
 10 18  1  6  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 15 14  1  0  0  0  0
 13 14  1  0  0  0  0
 17 13  1  0  0  0  0
 13 27  1  1  0  0  0
 26 15  1  0  0  0  0
 16 26  1  0  0  0  0
 16 17  1  0  0  0  0
 20 27  1  0  0  0  0
 23 22  1  0  0  0  0
 23 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 28  2  0  0  0  0
 29 30  1  1  0  0  0
 31 32  1  6  0  0  0
 33 34  1  1  0  0  0
 14 35  1  1     0  0
 14  9  1  0  0  0  0
  3 21  1  1  0  0  0
M  END
> <LM_ID>
LMPR0106150075

> <COMMON_NAME>
Akebonic Acid

> <SYSTEMATIC_NAME>
3-beta-hydroxy-30-Noroleana-12,20(29)-dien-28-oic acid

> <FORMULA>
C29H44O3

> <MASS>
440.33

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Oleanane triterpenoids [PR010615]

> <SYNONYMS>
Akebonoic acid

> <INCHI_KEY>
XWVVPZWKCNXREE-VSQYQUPVSA-N

> <INCHI>
InChI=1S/C29H44O3/c1-18-9-14-29(24(31)32)16-15-27(5)19(20(29)17-18)7-8-22-26(4)12-11-23(30)25(2,3)21(26)10-13-28(22,27)6/h7,20-23,30H,1,8-17H2,2-6H3,(H,31,32)/t20-,21-,22+,23-,26-,27+,28+,29-/m0/s1

> <SMILES>
C1C[C@H](O)C(C)(C)[C@]2([H])CC[C@@]3(C)[C@@]4(C)C([C@@]5([H])[C@](C(=O)O)(CCC(=C)C5)CC4)=CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
69588

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14036559

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
13331

> <CITATION>
-

$$$$