LMPR0106040015
  LIPID_MAPS_STRUCTURE_DATABASE

 38 41  0     0  0            999 V2000
    7.6223    8.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6223    7.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120    7.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4018    7.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4018    8.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120    9.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2916    7.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1813    7.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1813    8.9290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2916    9.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0711    9.4427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0711   10.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1813   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
   13.0482    9.1252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6522    9.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0482   10.7877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0482   11.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9380   12.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8278   11.8150    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4018    9.9565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0711    8.6716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0711   11.3477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1813    9.7050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5120    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    7.3878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4018    6.8742    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6796    9.9565    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4060    9.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8923    8.3402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4335    9.2299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9380   13.3562    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1584   12.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2687   11.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3790   12.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4892   11.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5994   12.3288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9755   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  2  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
 11 22  1  1  0  0  0
 12 23  1  6  0  0  0
  9 24  1  6  0  0  0
  3 25  1  6  0  0  0
  2 26  1  6  0  0  0
  4 27  1  6  0  0  0
 16 28  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 19 32  2  0  0  0  0
 18 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
M  END
> <LM_ID>
LMPR0106040015

> <COMMON_NAME>
9,11-Anhydro Fusidic Acid

> <SYSTEMATIC_NAME>
(-)-16beta-acetoxy-3alpha-hydroxyfusida-9(11),17(20)Z,24-triene-21-oic acid

> <FORMULA>
C31H46O5

> <MASS>
498.33

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Prostostane and fusidane triterpenoids [PR010604]

> <SYNONYMS>


> <INCHI_KEY>
XLGDRQJDRPAHDF-KRMCRKKPSA-N

> <INCHI>
InChI=1S/C31H46O5/c1-18(2)9-8-10-21(28(34)35)27-23-11-12-26-29(5)15-14-24(33)19(3)22(29)13-16-30(26,6)31(23,7)17-25(27)36-20(4)32/h9,12,19,22-25,33H,8,10-11,13-17H2,1-7H3,(H,34,35)/b27-21-/t19-,22-,23-,24+,25-,29-,30-,31-/m0/s1

> <SMILES>
C1C[C@]2(C)C3=CC[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>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
127256182

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
475927

> <CITATION>
-

$$$$