LMST01090004
  LIPID_MAPS_STRUCTURE_DATABASE

 41 46  0  0  0  0  0  0  0  0999 V2000
    7.3826    7.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6374    6.5757    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.6374    5.7153    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.3826    5.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1277    5.7153    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8729    5.2849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6181    5.7153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6181    6.5757    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.8729    7.0060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1277    6.5757    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.8729    7.8664    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6181    8.2967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3632    7.8664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.3632    7.0060    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.8537    7.0060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8537    7.8664    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1085    8.2967    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.3632    8.5334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1277    7.1782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1043    5.4076    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6181    7.3072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8566    6.2823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3632    6.3383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5990    8.2967    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1085    9.1573    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.6110    9.6547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1060   10.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5910    9.1484    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.4940    8.7333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1306    9.1314    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.9518    9.8869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1918   10.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6984   10.1013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8402    8.7963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1186    6.9144    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5593    6.5918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5593    6.0110    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2696    8.2481    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1406    5.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4102    9.8184    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  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
  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
  3 20  1  6  0  0  0
  8 21  1  1  0  0  0
  9 22  1  6  0  0  0
 14 23  1  6  0  0  0
 16 24  1  1  0  0  0
 17 25  1  1  0  0  0
 25 26  1  6  0  0  0
 28 27  1  6  0  0  0
 28 29  1  1  0  0  0
 29 30  1  0  0  0  0
 31 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 24  1  0  0  0  0
 31 30  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 30 34  1  1  0  0  0
  2 35  1  6  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 11 39  1  1  0  0  0
  5 40  1  6  0  0  0
 25 41  1  1  0  0  0
M  END
> <LM_ID>
LMST01090004

> <COMMON_NAME>
22-epi-Hippurin-1

> <SYSTEMATIC_NAME>
(22S)-1alpha-acetoxy-5alpha-furospirostan-3alpha,11beta,20R-triol

> <FORMULA>
C30H48O7

> <MASS>
520.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Furospirostanols and derivatives [ST0109]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
185496

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
128330

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01090004

$$$$