LMST02020142
  LIPID_MAPS_STRUCTURE_DATABASE

 23 26  0     0  0            999 V2000
   10.6248    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8927    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266    6.3607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0266    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8927    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6248    9.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    7.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4907    7.3606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6248    7.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6248    8.8606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1606    6.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8927    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4907   10.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0296    8.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4419    8.0516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4907    8.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4907    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4419    9.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7586    9.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 12  1  1  0  0  0  0
 12  9  1  0  0  0  0
 12 20  1  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4 14  1  0  0  0  0
 14  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  9  1  0  0  0  0
  9 23  1  0  0  0  0
 23  8  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  6  0  0  0
 20 11  1  6  0  0  0
 12 13  1  1  0  0  0
 14 15  2  0  0  0  0
  7 16  1  1  0  0  0
 21 17  1  1  0  0  0
 18 19  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 18  2  0  0  0  0
 22 21  1  0  0  0  0
M  END
> <LM_ID>
LMST02020142

> <COMMON_NAME>
Androstadienone

> <SYSTEMATIC_NAME>
Androsta-4,16-dien-3-one

> <FORMULA>
C19H26O

> <MASS>
270.20

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Steroids [ST02]

> <SUB_CLASS>
C19 steroids (androgens) and derivatives [ST0202]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
HNDHDMOSWUAEAW-VMXHOPILSA-N

> <INCHI>
InChI=1S/C19H26O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,12,15-17H,4-8,10-11H2,1-2H3/t15-,16-,17-,18-,19-/m0/s1

> <SMILES>
C1CC2[C@@](C)([C@@]3([H])CC[C@@]4(C=CC[C@@]4([H])[C@]13[H])C)CCC(=O)C=2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 19:3;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92979

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
9606

> <CITATION>
4303551

$$$$