LMST01100041
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0     0  0            999 V2000
    3.7529   -6.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6196   -6.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6196   -7.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7529   -8.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -7.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8862   -6.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4864   -6.3799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3530   -6.8802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3530   -7.8811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4864   -8.3815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4863   -5.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3529   -4.8787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2197   -5.3791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2197   -6.3798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0864   -4.8786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9531   -5.3790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9532   -6.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6196   -5.8796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0196   -8.3815    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1324   -4.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3070   -7.3768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0864   -3.8778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9530   -3.3773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2196   -3.3774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8197   -3.8777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6864   -3.3772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5532   -3.8776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5933   -8.6165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3409   -6.0585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4198   -3.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5532   -4.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4198   -4.3780    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6529   -4.5033    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9863   -9.0248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3962   -9.1482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9529   -2.3765    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
 15 33  1  6     0  0
  4 34  1  0     0  0
  4 35  1  0     0  0
 23 36  1  0     0  0
M  END
> <LM_ID>
LMST01100041

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
22,25-dihydroxycycloart-23E-en-3-one

> <FORMULA>
C30H48O3

> <MASS>
456.36

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cycloartanols and derivatives [ST0110]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
FGKUHDXMDDMVEC-RNWKAILJSA-N

> <INCHI>
InChI=1S/C30H48O3/c1-19(21(31)11-13-25(2,3)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(O)(C)C)[C@@]4(C)CC[C@@]43C[C@]124

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:3;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
101192455

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1640456

> <CITATION>
34881656

$$$$