LMST01060044
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0     0  0            999 V2000
    8.3832    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    7.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    6.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3832    6.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3451    6.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3072    6.2256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    6.7811    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    7.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3072    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3451    7.8922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3072    9.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695   10.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2315    9.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2315    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1559    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1559    9.5585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1938   10.1140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2315   10.4196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3451    8.6700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1938   11.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2889   11.2452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9635   11.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7332   11.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5028   11.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2725   11.0029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0423   11.4471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2725   10.2524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8168   10.4739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1938   11.9505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.3838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5012   12.0855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2695    8.8365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2863    7.5131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2315    7.5856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7332   10.2227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6584   11.8720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1356    6.2810    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
 24 31  1  6  0  0  0
  8 32  1  1  0  0  0
  9 33  1  6  0  0  0
 14 34  1  6  0  0  0
 23 35  1  0  0  0  0
 22 36  1  1  0  0  0
 23 36  1  1  0  0  0
  7 37  2  0     0  0
M  END
> <LM_ID>
LMST01060044

> <COMMON_NAME>
7-oxoGorgosterol

> <SYSTEMATIC_NAME>
7-oxo-gorgost-5-en-3beta-ol

> <FORMULA>
C30H48O2

> <MASS>
440.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Gorgosterols and derivatives [ST0106]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22R,23R,24R)-7-oxo-22,23-methylene-23,24-dimethylcholest-5-en-3beta-ol

> <INCHI_KEY>
YOBUUVKKHAMVQE-DBAAXSSLSA-N

> <INCHI>
InChI=1S/C30H48O2/c1-17(2)19(4)30(7)16-25(30)18(3)22-8-9-23-27-24(11-13-29(22,23)6)28(5)12-10-21(31)14-20(28)15-26(27)32/h15,17-19,21-25,27,31H,8-14,16H2,1-7H3/t18-,19+,21-,22+,23-,24-,25+,27-,28-,29+,30+/m0/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)[C@H]5C[C@]5(C)[C@H](C)C(C)C)CC[C@@]4([H])[C@]3([H])C(=O)C=C2C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:3;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
163115850

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
51814

> <CITATION>
35031429

$$$$