LMPR0106180018
  LIPID_MAPS_STRUCTURE_DATABASE

 37 42  0     0  0            999 V2000
    8.4647    9.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987    8.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    7.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    7.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628   10.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967   10.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    8.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608    9.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5269   10.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5269   11.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3308    8.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9808    9.5765    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    8.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0628    9.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948   11.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288   12.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948   10.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    9.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288   10.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288    9.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288    8.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608   12.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608   13.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    9.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    8.0265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3308    7.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3308    6.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2059    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4647    7.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7235    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6608   10.0265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5269    8.5265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5269    9.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3928   10.0265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987    7.5265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.0265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307   10.5265    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1 11  1  0     0  0
  2 35  1  0     0  0
 35 29  1  0     0  0
 29 26  1  0     0  0
 24 11  1  0     0  0
 11 26  1  0     0  0
 26  3  1  0     0  0
  3  4  1  0     0  0
  4 13  1  0     0  0
 13 20  1  0     0  0
 24 13  1  0     0  0
  6 24  1  0     0  0
  5  6  1  0     0  0
  5 19  2  0     0  0
 17 19  1  0     0  0
 19 20  1  0     0  0
 20  7  1  0     0  0
  7  8  1  0     0  0
  8 31  1  0     0  0
 31  9  1  0     0  0
 17 31  1  0     0  0
 15 17  1  0     0  0
 22 15  1  0     0  0
 22 10  1  0     0  0
  9 10  1  0     0  0
 11 12  1  1     0  0
 13 14  1  1     0  0
 15 16  1  1     0  0
 17 18  1  1     0  0
 20 21  1  6     0  0
 22 23  1  6     0  0
 24 25  1  6     0  0
 26 27  1  6     0  0
 29 28  1  0     0  0
 29 30  1  0     0  0
 31 33  1  1     0  0
 33 32  1  0     0  0
 33 34  2  0     0  0
 35 36  1  1     0  0
  6 37  1  1     0  0
 12 37  1  0     0  0
M  END
> <LM_ID>
LMPR0106180018

> <COMMON_NAME>
Sabiracin

> <SYSTEMATIC_NAME>
11,25-epoxy-3beta-hydroxyurs-12-en-28-oic acid

> <FORMULA>
C30H46O4

> <MASS>
470.34

> <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>
QBDYRNOBHCGOSP-WUMGSDKDSA-N

> <INCHI>
InChI=1S/C30H46O4/c1-17-7-11-29(25(32)33)14-13-27(5)19(23(29)18(17)2)15-20-24-28(27,6)10-8-21-26(3,4)22(31)9-12-30(21,24)16-34-20/h15,17-18,20-24,31H,7-14,16H2,1-6H3,(H,32,33)/t17-,18+,20+,21+,22+,23+,24+,27-,28-,29+,30-/m1/s1

> <SMILES>
C1[C@]23CO[C@H]4C=C5[C@@](C)(CC[C@]6(C(=O)O)[C@@]5([H])[C@@H](C)[C@H](C)CC6)[C@@](C)([C@@]24[H])CC[C@@]3([H])C(C)(C)[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121069

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
141541

> <CITATION>
32646240

$$$$