LMST02030330
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0     0  0            999 V2000
    6.0457   -5.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294   -6.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294   -7.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0457   -7.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1621   -7.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1621   -6.2498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8131   -5.7396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6967   -6.2497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6967   -7.2701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8131   -7.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8130   -4.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6966   -4.2089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5803   -4.7192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5803   -5.7395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4640   -4.2088    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3478   -4.7191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3479   -5.7394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9714   -5.2643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5803   -3.6988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4640   -3.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6712   -5.5354    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2784   -7.7802    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294   -7.9078    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8385   -6.4539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3478   -2.6783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2314   -4.2087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0456   -8.7809    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0550   -6.4465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7963   -7.4124    0.0000 C   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  2  0     0  0
  2 18  1  1     0  0
 13 19  1  1     0  0
 15 20  1  1     0  0
  8 21  1  1     0  0
  5 22  1  1     0  0
  3 23  1  6     0  0
  7 24  1  6     0  0
 20 25  1  0     0  0
 16 26  2  0     0  0
  4 27  1  6     0  0
 17 28  1  0     0  0
 28 29  1  0     0  0
M  END
> <LM_ID>
LMST02030330

> <COMMON_NAME>
Trichilone

> <SYSTEMATIC_NAME>
15-methoxy-3beta,4alpha-dihydroxy-5alpha-pregn-14-en-16-one

> <FORMULA>
C22H34O4

> <MASS>
362.25

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C21 steroids (gluco/mineralocorticoids, progestogins) and derivatives [ST0203]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MEBUAEOSVNAPMT-XEQOUDDLSA-N

> <INCHI>
InChI=1S/C22H34O4/c1-5-13-19(25)20(26-4)17-12-6-7-15-18(24)16(23)9-11-21(15,2)14(12)8-10-22(13,17)3/h12-16,18,23-24H,5-11H2,1-4H3/t12-,13+,14+,15+,16+,18+,21-,22-/m1/s1

> <SMILES>
C1C[C@H](O)[C@@H](O)[C@]2([H])CC[C@@]3([H])C4=C(OC)C(=O)[C@H](CC)[C@@]4(C)CC[C@]3([H])[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 22:2;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178334352

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1495524

> <CITATION>
23156985

$$$$