LMST01010555
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.4646    9.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4646    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625    8.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625   10.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966   10.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8797    9.0515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4674    9.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5985    8.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    9.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5985    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    7.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3305    8.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3305    9.8605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3305    7.8604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    7.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1966    9.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286    9.3604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286   10.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286   11.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8797   10.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7457   11.1695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0137   12.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8797   11.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6117   11.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4776   12.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2096   12.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3436   11.6696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3436   10.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7457   12.1696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9286    8.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    6.3604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8797   12.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7457   13.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3305    6.8604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2097   11.1696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  9 11  1  0  0  0  0
 11  2  1  0  0  0  0
  2 15  1  0  0  0  0
 17 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16  3  1  0  0  0  0
  3  4  2  0  0  0  0
 18  4  1  0  0  0  0
 17  4  1  0  0  0  0
  6 17  2  0  0  0  0
  5  6  1  0  0  0  0
 19  5  1  0  0  0  0
 21 19  1  0  0  0  0
 19 18  1  0  0  0  0
 18  7  1  0  0  0  0
 21  8  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  1  0  0  0
 11 12  1  1  0  0  0
 13 14  1  1  0  0  0
 19 20  1  1  0  0  0
 21 24  1  0  0  0  0
 21 22  1  6  0  0  0
 24 23  1  6  0  0  0
 24 30  1  0  0  0  0
 30 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 28  1  0  0  0  0
 28 27  1  0  0  0  0
 28 29  1  0  0  0  0
 18 31  1  6     0  0
 16 32  2  0     0  0
 24 33  1  1     0  0
 30 34  1  6     0  0
 15 35  1  1     0  0
 28 36  1  0     0  0
M  END
> <LM_ID>
LMST01010555

> <COMMON_NAME>
Herkesterone

> <SYSTEMATIC_NAME>
2beta,3beta,5beta,14alpha,20R,22R,25-heptahydroxy-cholest-7,9(11)-dien-6-one

> <FORMULA>
C27H42O8

> <MASS>
494.29

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
5beta,25-dihydroxydacryhainansterone

> <INCHI_KEY>
IPPARPMLJLUMNP-CVFUVVIBSA-N

> <INCHI>
InChI=1S/C27H42O8/c1-22(2,32)9-8-20(30)25(5,33)19-7-11-26(34)16-12-21(31)27(35)14-18(29)17(28)13-24(27,4)15(16)6-10-23(19,26)3/h6,12,17-20,28-30,32-35H,7-11,13-14H2,1-5H3/t17-,18+,19-,20+,23+,24+,25+,26+,27+/m0/s1

> <SMILES>
C1[C@@]2(C)[C@](O)(C(=O)C=C3C2=CC[C@@]2(C)[C@@]3(O)CC[C@]2([H])[C@@](O)([C@H](O)CCC(O)(C)C)C)C[C@@H](O)[C@H]1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:3;O8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102157616

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
41634

> <CITATION>
15217300

$$$$