LMST02030222
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    8.4646    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0626    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0626    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0626    9.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6607    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6607    8.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    8.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    7.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306    8.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    9.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287   10.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    9.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948   10.8607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6607   11.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    7.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    6.8607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287   11.3607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5986    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    7.6357    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0890    8.6705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2 25  1  0  0  0  0
 25  3  1  0  0  0  0
  3  4  1  0  0  0  0
  8 15  1  0  0  0  0
 15  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7 13  1  0  0  0  0
  8  7  1  0  0  0  0
 10  8  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 19 17  1  0  0  0  0
 17 13  1  0  0  0  0
 13 14  1  0  0  0  0
 19 11  1  0  0  0  0
 14 12  1  0  0  0  0
 12 11  1  0  0  0  0
 13 22  1  1  0  0  0
 14 23  1  1  0  0  0
 15 16  1  1  0  0  0
 17 18  1  1  0  0  0
 19 20  1  6  0  0  0
 20 24  2  0  0  0  0
 20 21  1  0  0  0  0
 25 26  1  1  0  0  0
  8 27  1  6     0  0
  7 28  1  1     0  0
M  END
> <LM_ID>
LMST02030222

> <COMMON_NAME>
Insignin A

> <SYSTEMATIC_NAME>
15R,16-epoxy-3beta,14beta,16beta-trihydroxy-15,16-secopregn-5-ene-20-one

> <FORMULA>
C21H32O5

> <MASS>
364.22

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
XSCQMBRUSKHLQE-SZELBSGTSA-N

> <INCHI>
InChI=1S/C21H32O5/c1-12(22)17-11-26-18(24)21(25)16-5-4-13-10-14(23)6-8-19(13,2)15(16)7-9-20(17,21)3/h4,14-18,23-25H,5-11H2,1-3H3/t14-,15-,16+,17-,18+,19-,20+,21+/m0/s1

> <SMILES>
C1[C@@]2(C)C(=CC[C@]3([H])[C@]2([H])CC[C@@]2(C)[C@]3(O)[C@H](O)OC[C@H]2C(C)=O)C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 21:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
52931515

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1165872

> <CITATION>
-

$$$$