LMST01080046
  LIPID_MAPS_STRUCTURE_DATABASE

 36 41  0     0  0            999 V2000
    7.5742    8.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4157    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9404    7.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9404    8.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0988    9.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2572    8.7900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0988   10.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7820   10.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7820    9.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4649    9.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4649   10.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6233   10.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7820   11.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2572    9.4705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9404    9.6160    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0803    8.4586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7820    8.5220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3067   10.7335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6233   11.7054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0617   12.2670    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2974   11.6954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5414   11.7202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1231   12.7277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0045   12.4080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8607   12.4701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5742    7.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9404   10.7335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.3325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4157    9.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2572    7.8183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0988    7.3324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4159   12.0153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8791   12.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8791   13.6747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0988    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2572    6.8466    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 29  1  1  0  0  0  0
  1 26  1  0  0  0  0
 26  2  1  0  0  0  0
  2 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  7  1  0  0  0  0
  7 27  1  0  0  0  0
 27  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 29  6  1  0  0  0  0
 30  6  1  0  0  0  0
  5  6  1  0  0  0  0
  4  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  1  0  0  0
  6 14  1  1  0  0  0
  4 15  1  1  0  0  0
  5 16  1  6  0  0  0
  9 17  1  6  0  0  0
 11 18  1  1  0  0  0
 12 19  1  1  0  0  0
 19 20  1  6  0  0  0
 21 33  1  0  0  0  0
 21 32  1  1  0  0  0
 32 22  1  0  0  0  0
 23 24  1  0  0  0  0
 24 33  1  0  0  0  0
 19 21  1  0  0  0  0
 21 18  1  0  0  0  0
 23 25  1  6  0  0  0
 26 28  1  1  0  0  0
 23 22  1  0  0  0  0
 30 36  1  6  0  0  0
 31 35  1  1  0  0  0
 33 34  1  1  0  0  0
M  END
> <LM_ID>
LMST01080046

> <COMMON_NAME>
Hispigenin

> <SYSTEMATIC_NAME>
(22R,25S)-5alpha-spirostan-3beta,6beta,23S-triol

> <FORMULA>
C27H44O5

> <MASS>
448.32

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Spirostanols and derivatives [ST0108]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
GDFVLFBHNREYBP-XFZPWNQFSA-N

> <INCHI>
InChI=1S/C27H44O5/c1-14-9-23(30)27(31-13-14)15(2)24-22(32-27)12-19-17-11-21(29)20-10-16(28)5-7-25(20,3)18(17)6-8-26(19,24)4/h14-24,28-30H,5-13H2,1-4H3/t14-,15-,16-,17+,18-,19-,20+,21+,22-,23-,24-,25+,26-,27+/m0/s1

> <SMILES>
C1[C@H](O)C[C@@]2([H])[C@@](C)([C@@]3([H])CC[C@]4(C)[C@H]5[C@@H]([C@]6(O[C@H]5C[C@@]4([H])[C@]3([H])C[C@H]2O)OC[C@@H](C)C[C@@H]6O)C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 27:2;O5

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178334327

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
374015

> <CITATION>
-

$$$$