LMPR0106180031
  LIPID_MAPS_STRUCTURE_DATABASE

 33 37  0     0  0            999 V2000
    6.3669   -2.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3669   -3.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522   -3.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -3.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -2.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2522   -1.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0228   -3.8630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9082   -3.3519    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9082   -2.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0228   -1.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7934   -1.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7934   -0.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9082   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0228   -0.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7411   -4.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7635   -4.7483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1375   -1.3074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9082   -1.5577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6787   -2.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5639   -1.8185    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5639   -0.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6787   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4492   -0.2852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4492    0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5639    1.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6787    0.7371    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6787   -1.0310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2504   -1.1927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7934    1.2481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7934   -2.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5008   -3.8519    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5639    2.2482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4300    2.7483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  2  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  5 17  1  1  0  0  0
  9 18  1  1  0  0  0
 11 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 12  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 22  1  0  0  0  0
 22 27  1  6  0  0  0
 21 28  1  1  0  0  0
 26 29  1  1  0  0  0
 11 30  1  6  0  0  0
  2 31  2  0     0  0
 25 32  1  6     0  0
 32 33  1  0     0  0
M  END
> <LM_ID>
LMPR0106180031

> <COMMON_NAME>
Salvurmin B

> <SYSTEMATIC_NAME>
3-oxo-30-hydroxy-urs-1,9,12-triene

> <FORMULA>
C30H44O2

> <MASS>
436.33

> <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>
FVDQDIJTPFIXPB-UYMQOYBOSA-N

> <INCHI>
InChI=1S/C30H44O2/c1-19-20(18-31)10-13-27(4)16-17-29(6)21(25(19)27)8-9-23-28(5)14-12-24(32)26(2,3)22(28)11-15-30(23,29)7/h8-9,12,14,19-20,22,25,31H,10-11,13,15-18H2,1-7H3/t19-,20-,22?,25+,27+,28-,29+,30+/m0/s1

> <SMILES>
C1=C[C@]2(C)C3=CC=C4[C@@]5([H])[C@@H](C)[C@H](CO)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CCC2C(C)(C)C1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121072

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2490792

> <CITATION>
11072894

$$$$