1245643
  Ketcher 12212314322D 1   1.00000     0.00000     0

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   10.4169    9.0666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1855   10.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1819    9.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9499    9.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9533   10.0913    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0711   10.6083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2948    9.5622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2251   11.1850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0746   11.6053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9399   12.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0725   12.6029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8014   11.5991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6666   12.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1807    8.0837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5382    7.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.7923    8.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   18.6727   12.7089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0     0  0
  1  6  1  0     0  0
  5  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  5  1  0     0  0
  6  7  1  0     0  0
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  4 18  1  0     0  0
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 21  1  1  0     0  0
 18 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 19  1  0     0  0
 18 26  1  1     0  0
 24 27  1  6     0  0
 21 28  1  1     0  0
 16 29  2  0     0  0
 16 30  1  0     0  0
 19 31  1  1     0  0
  9 32  1  6     0  0
 12 33  1  6     0  0
  4 34  1  6     0  0
 30 35  1  0     0  0
 35 36  1  1     0  0
 36 37  2  0     0  0
 36 38  1  0     0  0
 20 39  1  1     0  0
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 41 42  1  0     0  0
 41 43  1  0     0  0
M  END

> <LM_ID>
LMISST0506A156

> <COMMON_NAME>
Leu-betaMCA

> <SYSTEMATIC_NAME>
N-(3alpha,6beta,7beta-trihydroxy-5beta-cholan-24-oyl)-leucine

> <FORMULA>
C30H51NO6

> <MASS>
521.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroid conjugates [ST05]

> <SUB_CLASS>
Amino acid conjugates [ST0506]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
-

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active (generated by computational methods)

> <REFS>
-

$$$$