LMPR0106040001
  LIPID_MAPS_STRUCTURE_DATABASE

 40 43  0     0  0            999 V2000
    7.6224    8.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6224    7.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121    7.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4019    7.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4019    8.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121    9.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2916    7.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1814    7.9016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1814    8.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2916    9.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0712    9.4428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0712   10.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1814   10.9839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2916   10.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0483    9.1253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6523    9.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0483   10.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0483   11.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9381   12.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8279   11.8151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4019    9.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2916    8.6506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0712    8.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0712   11.3478    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1814    9.7051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5121    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4019    6.8743    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6587   10.8554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6797    9.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4061    9.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8924    8.3403    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4336    9.2300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9381   13.3563    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1585   12.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2688   11.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3790   12.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4893   11.8151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5995   12.3289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9756   10.9254    0.0000 C   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  1  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  1  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 12  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
  5 21  1  1  0  0  0
 10 22  1  1  0  0  0
 11 23  1  1  0  0  0
 12 24  1  6  0  0  0
  9 25  1  6  0  0  0
  3 26  1  6  0  0  0
  2 27  1  6  0  0  0
  4 28  1  6  0  0  0
 14 29  1  6  0  0  0
 16 30  1  1  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 19 34  2  0  0  0  0
 18 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106040001

> <COMMON_NAME>
(-)-Fusidic acid

> <SYSTEMATIC_NAME>
(-)-16beta-acetoxy-3alpha,11alpha-dihydroxyfusida-17(20)Z,24-diene-21-oic acid

> <FORMULA>
C31H48O6

> <MASS>
516.35

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Prostostane and fusidane triterpenoids [PR010604]

> <SYNONYMS>


> <INCHI_KEY>
IECPWNUMDGFDKC-MZJAQBGESA-N

> <INCHI>
InChI=1S/C31H48O6/c1-17(2)9-8-10-20(28(35)36)26-22-15-24(34)27-29(5)13-12-23(33)18(3)21(29)11-14-30(27,6)31(22,7)16-25(26)37-19(4)32/h9,18,21-25,27,33-34H,8,10-16H2,1-7H3,(H,35,36)/b26-20-/t18-,21-,22-,23+,24+,25-,27-,29-,30-,31-/m0/s1

> <SMILES>
C1C[C@]2(C)[C@]3([H])[C@H](O)C[C@@]4([H])/C(=C(\CC/C=C(\C)/C)/C(=O)O)/[C@@H](OC(C)=O)C[C@]4(C)[C@@]3(C)CC[C@@]2([H])[C@H](C)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0015570

> <CHEBI_ID>
29013

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3000226

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2637944

> <CITATION>
5855867

$$$$