LMPR0106040003
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    7.7012    9.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7012    7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6001    7.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4991    7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4991    9.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6001    9.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3981    7.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2970    7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2970    9.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3981    9.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1960    9.5404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1960   10.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2970   11.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3981   10.5785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1832    9.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7935   10.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1832   10.8993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1832   11.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0822   12.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9812   11.9373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4991   10.0595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3981    8.7400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1960    8.7613    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1960   11.4652    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2970    9.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6001    6.4263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8022    7.4642    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4991    7.2484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7585   10.9677    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0822   13.4944    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2842   12.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3854   11.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4864   12.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5874   11.9373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6884   12.4564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0684   11.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1720    7.4781    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  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
 19 30  2  0  0  0  0
 18 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 34 36  1  0  0  0  0
  8 37  1  1     0  0
M  END
> <LM_ID>
LMPR0106040003

> <COMMON_NAME>
16-deacetoxy-7beta-hydroxy-fusidic acid

> <SYSTEMATIC_NAME>
3alpha,7beta,11alpha-trihydroxyfusida-17(20)Z,24-diene-21-oic acid

> <FORMULA>
C29H46O5

> <MASS>
474.33

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Prostostane and fusidane triterpenoids [PR010604]

> <SYNONYMS>


> <INCHI_KEY>
VYHHOMDLVBXTJZ-QUMOXZQVSA-N

> <INCHI>
InChI=1S/C29H46O5/c1-16(2)8-7-9-19(26(33)34)18-10-13-28(5)21(18)14-23(31)25-27(4)12-11-22(30)17(3)20(27)15-24(32)29(25,28)6/h8,17,20-25,30-32H,7,9-15H2,1-6H3,(H,33,34)/b19-18+/t17-,20-,21-,22+,23+,24-,25-,27-,28-,29-/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)/CC[C@]4(C)[C@@]3(C)[C@@H](O)C[C@@]2([H])[C@H](C)[C@@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
16091946

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
261922

> <CITATION>
16930645

$$$$