LMST01080086
  LIPID_MAPS_STRUCTURE_DATABASE

 35 40  0     0  0            999 V2000
    6.6975    7.1170    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8297    8.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8241   10.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9602   10.0452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9691    9.0475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6975   10.0548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6938    9.0566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4217    9.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4253   10.0490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5633   10.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8297    9.2067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6975   10.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6938    8.3062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1105    8.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1105    7.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9691    7.0659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8297    7.5604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2574    9.0458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041    8.5531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041    7.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2574    7.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1105    9.3129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9691    8.3841    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5633   11.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2184   10.5070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.2255   11.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3180   11.6941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2397   11.2675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2384   12.0283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0949   11.3953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1935   11.9528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7975   11.8091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0792   12.5391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1449    6.7700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9497    6.3275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  5  1  0     0  0
  2  7  1  0     0  0
  6  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  6  7  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  6  1  0     0  0
  7  8  1  0     0  0
  2 11  1  1     0  0
  6 12  1  1     0  0
  7 13  1  6     0  0
  5 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 17  2  1  0     0  0
 14 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 15  1  0     0  0
 14 22  1  1     0  0
  5 23  1  6     0  0
 10 24  1  1     0  0
  9 25  1  1     0  0
 26 25  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 29 28  1  0     0  0
 29 30  1  6     0  0
 29 31  1  0     0  0
 24 32  1  6     0  0
 31 33  1  0     0  0
 26 33  1  6     0  0
 20  1  1  1     0  0
 15 34  1  6     0  0
 16 35  1  6     0  0
 26 24  1  0     0  0
M  END
> <LM_ID>
LMST01080086

> <COMMON_NAME>
Chlorogenin

> <SYSTEMATIC_NAME>
(25R)-5alpha-spirostan-3beta,6alpha-diol

> <FORMULA>
C27H44O4

> <MASS>
432.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
188325

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931478

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01080086

$$$$