LMST01080040
  LIPID_MAPS_STRUCTURE_DATABASE

 35 40  0  0  0  0  0  0  0  0999 V2000
    6.9420    5.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0233    5.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0233    6.4288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3295    6.8294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6357    6.4288    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3295    7.6304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7172    7.6304    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7172    6.8294    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.1046    6.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1046    7.6304    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.4108    8.0311    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.7172    8.2515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6357    6.9898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0233    7.1098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3143    6.1555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7172    6.2078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7985    8.0311    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4108    8.8323    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9478    9.2953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2705    9.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7909    8.8240    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6408    8.8444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1205    9.6751    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.1983    9.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7285    9.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2482    5.6278    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6357    5.6278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7131    9.0878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3295    5.2271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.2272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9420    6.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2482    6.4288    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    6.8294    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0233    8.0311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0233    8.8322    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 31 32  1  0  0  0  0
 32 26  1  0  0  0  0
 26  1  1  0  0  0  0
  1 27  1  0  0  0  0
 27 29  2  0  0  0  0
 29  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6 34  1  0  0  0  0
 34  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 31  5  1  0  0  0  0
 27  5  1  0  0  0  0
  4  5  1  0  0  0  0
  3  8  1  0  0  0  0
  7 11  1  0  0  0  0
  7 12  1  1  0  0  0
  5 13  1  1  0  0  0
  3 14  1  1  0  0  0
  4 15  1  6  0  0  0
  8 16  1  6  0  0  0
 10 17  1  1  0  0  0
 11 18  1  1  0  0  0
 18 19  1  6  0  0  0
 21 20  1  6  0  0  0
 21 28  1  1  0  0  0
 28 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 20  1  0  0  0  0
 18 21  1  0  0  0  0
 21 17  1  0  0  0  0
 23 25  1  0  0  0  0
 26 30  1  1  0  0  0
 23 22  1  1  0  0  0
 32 33  1  6  0  0  0
 34 35  2  0  0  0  0
M  END
> <LM_ID>
LMST01080040

> <COMMON_NAME>
Kammogenin

> <SYSTEMATIC_NAME>
(25R)-12-oxo-spirost-5-en-2alpha,3beta-diol

> <FORMULA>
C27H40O5

> <MASS>
444.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(25R)-2alpha,3beta-dihydroxy-spirost-5-en-12-one

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
186902

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
12305426

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01080040

$$$$