LMST01010574
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0     0  0            999 V2000
    8.6366    9.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7576    8.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7576    8.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6366    7.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5153    8.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3590    7.5182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2379    8.0102    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2379    9.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3590    9.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5153    8.9947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3590   10.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2379   10.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0816   10.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0816    9.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8041    9.4868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8041   10.5062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9604   10.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0816   11.4906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5153    9.9789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9604   12.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0816   12.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8393   12.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6830   12.0178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5619   12.5099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4056   11.9828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4056   10.9632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2845   12.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6265   11.3987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3590    6.4987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8787    9.5219    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8787    7.4830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9604   13.0375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0816    8.4649    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4766    7.2476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2504   11.4426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3590    8.8269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8393   13.5104    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 17 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 18  1  1  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
  8 14  1  0  0  0  0
 10  9  1  0  0  0  0
  8  9  1  0  0  0  0
 11  9  1  0  0  0  0
  7  8  2  0  0  0  0
  5 10  1  0  0  0  0
 10 19  1  1  0  0  0
  1 10  1  0  0  0  0
 16 17  1  0  0  0  0
 20 17  1  0  0  0  0
 17 28  1  6  0  0  0
 11 12  1  0  0  0  0
 16 15  1  0  0  0  0
  6  7  1  0  0  0  0
  4  5  1  0  0  0  0
  6  5  1  0  0  0  0
 29  6  2  0  0  0  0
 22 20  1  0  0  0  0
 20 21  1  0  0  0  0
  2  1  1  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  0  0  0  0
  3  4  1  0  0  0  0
 25 24  1  0  0  0  0
 27 25  1  0  0  0  0
 26 25  1  0  0  0  0
  3  2  1  0  0  0  0
  2 30  1  1  0  0  0
  3 31  1  1  0  0  0
 14 33  1  1     0  0
 20 32  1  1  0  0  0
  5 34  1  1     0  0
 25 35  1  0     0  0
  9 36  1  6     0  0
 22 37  1  6     0  0
M  END
> <LM_ID>
LMST01010574

> <COMMON_NAME>
14-epi-polypodine B

> <SYSTEMATIC_NAME>
2beta,3beta,5beta,14beta,20R,22R,25-heptahydroxy-cholesta-7-en-6-one

> <FORMULA>
C27H44O8

> <MASS>
496.30

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GMFLGNRCCFYOKL-YMVNSCGCSA-N

> <INCHI>
InChI=1S/C27H44O8/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/h12,15,17-20,28-30,32-35H,6-11,13-14H2,1-5H3/t15-,17-,18+,19-,20+,23+,24+,25+,26-,27+/m0/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2(O)C(=O)C=C3[C@]([H])(CC[C@]4([C@]3(O)CC[C@]4([H])[C@](O)(C)[C@H](O)CCC(O)(C)C)C)[C@]21C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O8

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171116439

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
55185

> <CITATION>
34302431

$$$$