LMPR0106150002
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
    8.0266    9.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1608    8.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1608    7.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8928    7.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7588    7.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6248    7.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7588   10.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6248   10.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4908   10.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4908    9.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3569    8.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2231    9.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2231   10.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3569   10.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3569   11.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0890   11.5161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0890   10.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4908    8.0160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8928    6.5159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4908   11.0159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0890    8.5160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2946    7.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3222    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266    7.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7312    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9275   12.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2231   12.0161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5186   12.9715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0890    9.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9551   10.0159    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6248    8.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6248    9.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7588    9.0159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7588    8.0160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8928    8.5160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8928    9.5159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 35  1  0  0  0  0
 33 35  1  0  0  0  0
  4 35  1  0  0  0  0
 24  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 24  1  0  0  0  0
  3  2  1  0  0  0  0
  7 33  1  0  0  0  0
 31 33  1  0  0  0  0
  6 31  1  0  0  0  0
 10 31  1  0  0  0  0
  6  5  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  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
 14  9  1  0  0  0  0
  9 20  1  1  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 15 14  2  0  0  0  0
 13 14  1  0  0  0  0
 17 13  1  0  0  0  0
 13 29  1  1  0  0  0
 27 15  1  0  0  0  0
 16 27  1  0  0  0  0
 16 17  1  0  0  0  0
 21 29  1  0  0  0  0
 22  3  2  0  0  0  0
 24 23  1  0  0  0  0
 24 25  1  0  0  0  0
 27 26  1  0  0  0  0
 27 28  1  0  0  0  0
 29 30  2  0  0  0  0
 31 32  1  1  0  0  0
 33 34  1  6  0  0  0
 35 36  1  1  0  0  0
M  END
> <LM_ID>
LMPR0106150002

> <COMMON_NAME>
Moronic acid

> <SYSTEMATIC_NAME>
3-oxoolean-18-en-28-oic acid

> <FORMULA>
C30H46O3

> <MASS>
454.34

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Oleanane triterpenoids [PR010615]

> <SYNONYMS>


> <INCHI_KEY>
UMYJVVZWBKIXQQ-QALSDZMNSA-N

> <INCHI>
InChI=1S/C30H46O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h18-19,21-22H,8-17H2,1-7H3,(H,32,33)/t19-,21+,22-,27+,28-,29-,30+/m1/s1

> <SMILES>
C1CC(=O)C(C)(C)[C@]2([H])CC[C@@]3(C)[C@@]4(C)[C@@]([H])(C5[C@](C(=O)O)(CCC(C)(C)C=5)CC4)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
30815

> <ABBREVIATION>
-

> <CAYMAN_ID>
30654

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
489941

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1158814

> <CITATION>
538108

$$$$