LMPR0106140009
  LIPID_MAPS_STRUCTURE_DATABASE

 39 43  0     0  0            999 V2000
   11.8357    8.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8483    9.8410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9887    8.3764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6786    8.3640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8273    7.8800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7037   10.3168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0053   10.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1458    8.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9887    7.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9803    9.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5297    8.8437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5548    9.8202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7078   11.3056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1499    9.8578    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2904    8.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375    6.9035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4019   10.3126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3894    9.3277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4061   11.2973    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4449   12.2570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861    7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4433    8.8730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2820    9.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5895   12.7536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1417   12.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4433    6.9076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    8.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5880    7.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9231    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9384    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.9118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8399   10.8259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6994    9.3403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1375    7.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7523   11.5602    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2738    6.6236    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4263    5.1877    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3799    8.3278    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2602    9.8195    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  6     0  0
  2  6  1  0     0  0
  2  7  1  0     0  0
  3  8  1  0     0  0
  3  9  1  0     0  0
  3 10  1  1     0  0
  4 11  1  0     0  0
  6 12  1  0     0  0
  6 13  1  0     0  0
  7 14  1  0     0  0
  8 15  1  0     0  0
  9 16  1  0     0  0
 12 17  1  0     0  0
 12 18  1  1     0  0
 13 19  1  0     0  0
 13 20  1  6     0  0
 15 21  1  0     0  0
 15 22  1  0     0  0
 15 23  1  1     0  0
 20 24  1  0     0  0
 20 25  2  0     0  0
 21 26  1  0     0  0
 22 27  1  0     0  0
 26 28  1  0     0  0
 26 29  1  6     0  0
 26 30  1  0     0  0
 28 31  1  6     0  0
  8 14  1  0     0  0
 11 12  1  0     0  0
 16 21  1  0     0  0
 17 19  1  0     0  0
 27 28  1  0     0  0
  2 32  1  1     0  0
  6 33  1  6     0  0
  8 34  1  6     0  0
 13 35  1  1     0  0
 21 36  1  6     0  0
 30 37  1  0     0  0
 18 38  2  0     0  0
 18 39  1  0     0  0
M  END
> <LM_ID>
LMPR0106140009

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3alpha,24-dihydroxylup-20(29)-en-28-oic acid

> <FORMULA>
C30H48O4

> <MASS>
472.36

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Lupane triterpenoids [PR010614]

> <SYNONYMS>


> <INCHI_KEY>
HXWLKAXCQLXHML-JWWFTRONSA-N

> <INCHI>
InChI=1S/C30H48O4/c1-18(2)19-9-14-30(25(33)34)16-15-28(5)20(24(19)30)7-8-22-26(3)12-11-23(32)27(4,17-31)21(26)10-13-29(22,28)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21+,22+,23+,24+,26-,27+,28+,29+,30-/m0/s1

> <SMILES>
[C@@]12(C)CC[C@@]3(C(O)=O)CC[C@@]([H])(C(=C)C)[C@]3([H])[C@@]1([H])CC[C@]1([H])[C@@]3(C)CC[C@@H](O)[C@@](CO)(C)[C@]3([H])CC[C@@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
145954081

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
136782

> <CITATION>
33203260

$$$$