LMST04030067
  LIPID_MAPS_STRUCTURE_DATABASE

 39 42  0  0  0  0  0  0  0  0999 V2000
    6.9360    7.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1305    6.7955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1305    5.8655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9360    5.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7415    5.8655    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5468    5.4002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3525    5.8655    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.3525    6.7955    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5468    7.2606    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7415    6.7955    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.5468    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3525    8.6557    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1578    8.1906    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.1578    7.2606    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.7688    7.2606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7688    8.1906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9634    8.6557    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1578    8.9115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7415    7.4467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9634    9.3997    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.2059    9.6026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6077    9.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2520    9.3997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8964    9.7717    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.5406    9.3997    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.1851    9.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5406    8.7716    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4849    8.9568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9634   10.1932    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.5328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9563    5.4290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3525    9.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8949   10.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7415    5.2475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1851   10.3061    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7148    9.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3525    7.5861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5293    6.4784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1578    6.5388    0.0000 H   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  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  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 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 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
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  6  0  0  0
  7 31  1  6  0  0  0
 12 32  1  6  0  0  0
 24 33  1  0  0  0  0
  5 34  1  1  0  0  0
 26 35  2  0  0  0  0
 26 36  1  0  0  0  0
  8 37  1  1  0  0  0
  9 38  1  6  0  0  0
 14 39  1  6  0  0  0
M  END
> <LM_ID>
LMST04030067

> <COMMON_NAME>
Varanic acid

> <SYSTEMATIC_NAME>
3alpha,7alpha,12alpha,24-Tetrahydroxy-5beta-cholestan-26-oic acid

> <FORMULA>
C27H46O6

> <MASS>
466.33

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C27 bile acids, alcohols, and derivatives [ST0403]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FAYYTQMQTAKHRM-QDVPYJSNSA-N

> <INCHI>
InChI=1S/C27H46O6/c1-14(5-8-21(29)15(2)25(32)33)18-6-7-19-24-20(13-23(31)27(18,19)4)26(3)10-9-17(28)11-16(26)12-22(24)30/h14-24,28-31H,5-13H2,1-4H3,(H,32,33)/t14-,15?,16+,17-,18-,19+,20+,21?,22-,23+,24+,26+,27-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])C[C@H](O)[C@]4(C)[C@@]([H])([C@]([H])(C)CCC(O)C(C)C(O)=O)CC[C@@]4([H])[C@]3([H])[C@H](O)C[C@]2([H])C[C@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
48742

> <ABBREVIATION>
ST 27:1;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3080578

> <LIPIDBANK_ID>
BBA0387

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
8556; 9606

> <CITATION>
7142816; 424737

$$$$