LMST01010495
  LIPID_MAPS_STRUCTURE_DATABASE

 41 46  0     0  0            999 V2000
    6.2260   -3.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718   -3.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718   -4.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.3803   -4.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3803   -3.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9176   -3.4670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7634   -3.9553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7634   -4.9320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9176   -5.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9175   -2.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7633   -2.0020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6092   -2.4903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6092   -3.4669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3008   -2.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3009   -3.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4550   -2.0019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4550   -1.0251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3007   -0.5368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1466   -1.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1466   -2.0018    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0718   -2.9788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6092   -1.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5345   -5.4203    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8242   -3.2266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9539   -4.1225    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6211   -4.1957    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6349   -0.1793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6245   -0.0634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4821   -0.9401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0900   -1.2779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3427   -2.2211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7805   -0.5872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0185    0.7025    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0332   -1.5306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0306    0.5575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4111    1.3405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6623   -0.3706    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6685   -4.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024   -5.4204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6684   -3.9204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  2  0     0  0
  7 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  8  1  0     0  0
 15 16  1  0     0  0
 14 16  1  0     0  0
 13 17  1  0     0  0
 17 15  1  0     0  0
 17 18  1  1     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
  2 22  1  1     0  0
 13 23  1  1     0  0
  5 24  1  1     0  0
 15 21  1  1     0  0
  8 25  1  1     0  0
  7 26  1  6     0  0
 14 27  1  6     0  0
 20 28  1  6     0  0
 18 29  1  6     0  0
 18 30  1  0     0  0
 29 28  1  0     0  0
 20 31  1  0     0  0
 31 32  1  0     0  0
 31 33  1  0     0  0
 29 34  1  6     0  0
 31 35  1  0     0  0
 34 36  1  0     0  0
 36 37  1  0     0  0
 36 38  2  0     0  0
 24 39  1  0     0  0
 39 40  1  0     0  0
 39 41  2  0     0  0
M  END
> <LM_ID>
LMST01010495

> <COMMON_NAME>
Suberoretisteroid C

> <SYSTEMATIC_NAME>
(3S,16S,20R,22R,24S)-16,24:20,24-diepoxycholest-5-ene-3,22,25-triol 3,22-diacetate

> <FORMULA>
C31H46O7

> <MASS>
530.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
3beta,22R-diacetoxy-16beta,24:20,24-diepoxychol-est-5-ene-3beta-ol

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102209953

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMST01010495

$$$$