LMPR0106180010
  LIPID_MAPS_STRUCTURE_DATABASE

 38 42  0  0  0  0  0  0  0  0999 V2000
    6.2717    7.6762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2717    6.8477    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9861    6.4369    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9861    8.0944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    7.6762    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7015    6.8477    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4158    6.4397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1310    6.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4128    8.0933    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1274    7.6782    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1273    9.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4102    8.9175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458    8.9181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8361    8.0950    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.5460    7.6795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2640    8.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5573    9.3263    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.2654    8.9089    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9738    9.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9828   10.1309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2747   10.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5576   10.1487    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3916    5.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6938    8.5011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1236    8.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9754    8.4995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8465   10.5682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4107    7.2656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8290    7.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5628    5.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5568    6.4350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6995    6.0245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9754    7.6708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5515    8.5011    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2818   11.3808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9703    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    8.0886    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6907    8.9118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 37  1  6  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  2 31  1  1  0  0  0
  2  3  1  0  0  0  0
  3  6  1  0  0  0  0
  3 23  1  0  0  0  0
  3 30  1  6  0  0  0
  5  4  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  1  0  0  0
  6  7  1  0  0  0  0
  6 32  1  6  0  0  0
  7  8  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
  9 28  1  6  0  0  0
 10 14  1  0  0  0  0
 10 25  1  1  0  0  0
 13 11  2  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  6  0  0  0
 15 16  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 17 34  1  1  0  0  0
 18 19  1  0  0  0  0
 18 26  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  2  0  0  0  0
 22 27  1  1  0  0  0
 26 33  2  0  0  0  0
 26 38  1  0  0  0  0
 30 36  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106180010

> <COMMON_NAME>
Actinidic acid

> <SYSTEMATIC_NAME>
2alpha,3beta,23-trihydroxyursa-12,20(30)-dien-28-oic acid

> <FORMULA>
C30H46O5

> <MASS>
486.33

> <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>
FFMVHFPLIIYYNC-QXIFDOFRSA-N

> <INCHI>
InChI=1S/C30H46O5/c1-17-9-12-30(25(34)35)14-13-28(5)19(23(30)18(17)2)7-8-22-26(3)15-20(32)24(33)27(4,16-31)21(26)10-11-29(22,28)6/h7,18,20-24,31-33H,1,8-16H2,2-6H3,(H,34,35)/t18-,20+,21+,22+,23-,24-,26-,27-,28+,29+,30-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
71457

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
70680338

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$