LMST01100040
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0     0  0            999 V2000
    3.7500   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6160   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6160   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8840   -6.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4821   -6.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3481   -6.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3481   -7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4821   -8.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4820   -5.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3480   -4.8749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2141   -5.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2141   -6.3749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0801   -4.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9462   -5.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9463   -6.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6160   -5.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0180   -8.3750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1269   -4.3787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3013   -7.3711    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0801   -3.8748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9461   -3.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2140   -3.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8121   -3.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6781   -3.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5442   -3.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5897   -8.6098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3360   -6.0538    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4102   -3.3745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5442   -4.8746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4102   -4.3746    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3499   -4.7166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6462   -4.4998    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9840   -9.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3928   -9.1411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9460   -2.3747    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  1  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
 13 15  1  0     0  0
 15 16  1  0     0  0
 16 17  1  0     0  0
 14 17  1  0     0  0
  7 18  1  1     0  0
  2 18  1  1     0  0
  5 19  2  0     0  0
 13 20  1  1     0  0
 14 21  1  6     0  0
 15 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  6     0  0
 23 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
  3 28  1  6     0  0
  8 29  1  1     0  0
 27 30  1  0     0  0
 27 31  1  0     0  0
 27 32  1  0     0  0
 32 33  1  0     0  0
 15 34  1  6     0  0
  4 35  1  0     0  0
  4 36  1  0     0  0
 23 37  1  0     0  0
M  END
> <LM_ID>
LMST01100040

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
22-hydroxy-25-hydroperoxycycloart-23E-en-3-one

> <FORMULA>
C30H48O4

> <MASS>
472.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cycloartanols and derivatives [ST0110]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
LGFMDBYEGRWZJF-RNWKAILJSA-N

> <INCHI>
InChI=1S/C30H48O4/c1-19(21(31)11-13-25(2,3)34-33)20-10-14-28(7)23-9-8-22-26(4,5)24(32)12-15-29(22)18-30(23,29)17-16-27(20,28)6/h11,13,19-23,31,33H,8-10,12,14-18H2,1-7H3/b13-11+/t19-,20+,21?,22-,23-,27+,28-,29+,30-/m0/s1

> <SMILES>
C1CC(=O)C(C)(C)[C@]2([H])CC[C@@]3([H])[C@]4(C)CC[C@]([H])([C@H](C)C(O)/C=C/C(OO)(C)C)[C@@]4(C)CC[C@@]43C[C@]124

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171118645

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1640456

> <CITATION>
34881656

$$$$