LMST01010627
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
   10.6729   -7.8822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8024   -7.3879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6560   -8.8329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9406   -7.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7940   -6.3779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8108   -9.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6686   -5.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9406   -8.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786   -7.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9321   -6.8808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7940  -10.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0786   -9.3863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2293   -7.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2293   -8.8878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3545   -7.3837    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3503   -9.3863    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9321   -9.8935    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5191   -7.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1090   -6.8747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5754   -6.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5754   -5.3715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5711   -7.3794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3844   -5.4245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5257   -6.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2542   -5.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1184   -4.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5257   -5.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6615   -4.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3898   -4.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3898   -3.5702    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8469   -4.5681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9826   -6.0650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9826   -5.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8469   -5.5661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5257   -4.0669    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 22  1  0     0  0
  1  2  2  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
 20  7  1  0     0  0
  4  8  1  0     0  0
  4  9  1  0     0  0
  4 10  1  1     0  0
  5  7  1  0     0  0
  6 11  2  0     0  0
  6  8  1  0     0  0
  8 12  1  0     0  0
  8 17  1  1     0  0
  9 13  1  0     0  0
 12 14  1  0     0  0
 13 15  1  1     0  0
 13 14  1  0     0  0
 14 16  1  1     0  0
 24 20  1  0     0  0
 20 22  1  0     0  0
 22 18  2  0     0  0
 24 19  1  0     0  0
 18 19  1  0     0  0
 20 21  1  1     0  0
 24 23  1  6     0  0
 24 27  1  0     0  0
 27 29  1  0     0  0
 29 25  1  0     0  0
 25 26  1  0     0  0
 26 33  1  0     0  0
 27 28  1  6     0  0
 29 30  1  6     0  0
 33 31  1  0     0  0
 33 32  1  0     0  0
 33 34  1  0     0  0
 27 35  1  0     0  0
M  END
> <LM_ID>
LMST01010627

> <COMMON_NAME>
Podecdysone B

> <SYSTEMATIC_NAME>
2beta,3beta,20R,22R,25-pentahydroxy-5beta-cholesta-8,14-dien-6-one

> <FORMULA>
C27H42O6

> <MASS>
462.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(22R,22R)-2beta,3beta,20,22,25-pentahydroxy-5beta-cholesta-8,14-dien-6-one

> <INCHI_KEY>
AEFMTBQZWMUASH-IILZZRPCSA-N

> <INCHI>
InChI=1S/C27H42O6/c1-24(2,32)10-9-23(31)27(5,33)22-7-6-16-15-12-19(28)18-13-20(29)21(30)14-26(18,4)17(15)8-11-25(16,22)3/h6,18,20-23,29-33H,7-14H2,1-5H3/t18-,20+,21-,22-,23+,25-,26+,27+/m0/s1

> <SMILES>
C12CC([C@]3([H])C[C@@H](O)[C@@H](O)C[C@]3(C)C=1CC[C@@]1(C)C2=CC[C@@]1([C@](O)(C)[C@H](O)CCC(O)(C)C)[H])=O

> <KEGG_ID>
C08832

> <HMDB_ID>
-

> <CHEBI_ID>
28688

> <ABBREVIATION>
ST 27:3;O6

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441831

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
75982

> <CITATION>
-

$$$$