LMST04010102
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    8.3654    8.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4136    8.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4136    7.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3654    6.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3173    7.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2693    6.5411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2213    7.0908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2213    8.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2693    8.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3173    8.1899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2693    9.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2213   10.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1732    9.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1732    8.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0772    8.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0772    9.8388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1252   10.3885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1732   10.6908    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3173    8.9596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1252   11.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2300   11.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8868   11.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6483   11.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4098   11.7075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.6978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9349    6.5750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.6465   10.5254    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3173    6.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4098   12.4723    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1713   11.2679    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2213    9.1245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2485    7.8151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1732    7.8868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7417   10.7444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1252   12.2056    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
  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
  3 25  1  6  0  0  0
  7 26  1  6  0  0  0
 23 27  1  6  0  0  0
  5 28  1  1  0  0  0
 24 29  2  0  0  0  0
 24 30  1  0  0  0  0
  8 31  1  1  0  0  0
  9 32  1  6  0  0  0
 14 33  1  6  0  0  0
 17 34  1  6  0  0  0
 20 35  1  1  0  0  0
M  END
> <LM_ID>
LMST04010102

> <COMMON_NAME>
Phocaecholic acid

> <SYSTEMATIC_NAME>
(23R)-3alpha,7alpha,23-Trihydroxy-5beta-cholan-24-oic Acid

> <FORMULA>
C24H40O5

> <MASS>
408.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Bile acids and derivatives [ST04]

> <SUB_CLASS>
C24 bile acids, alcohols, and derivatives [ST0401]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
C17654

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
81249

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
128357

> <LIPIDBANK_ID>
BBA0102

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST04010102

$$$$