LMST01010194
  LIPID_MAPS_STRUCTURE_DATABASE

 37 40  0  0  0  0  0  0  0  0999 V2000
    6.9870    7.7115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2672    6.4808    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9870    6.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6914    6.4808    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1234    6.4808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1234    7.3090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958    7.7115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6914    7.3090    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3958    8.5165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1234    8.9345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8201    8.5165    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8201    7.7115    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6019    7.4560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0741    8.1063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6019    8.7642    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.8201    9.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6908    8.1218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8511   10.1263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0339    9.6390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7382   10.0646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4581    9.6699    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.4581    8.8184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958    6.8833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3217    9.1745    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5804    6.0641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6856    5.6477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2672    7.3090    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    7.7205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958    6.0705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3958    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8277    6.8885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6019    9.6157    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.6019   10.4388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1625   10.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8753    9.6841    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3295   10.0414    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.3295   10.8644    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 12 11  1  0  0  0  0
 11 15  1  0  0  0  0
 11 10  1  0  0  0  0
 11 16  1  1  0  0  0
  6 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  6  0  0  0
  7  9  1  0  0  0  0
  7  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 23  1  6  0  0  0
  6  5  2  0  0  0  0
  8  4  1  0  0  0  0
  8 17  1  1  0  0  0
  8  1  1  0  0  0  0
 15 14  1  0  0  0  0
 15 32  1  0  0  0  0
 15 24  1  6  0  0  0
  9 10  1  0  0  0  0
 14 13  1  0  0  0  0
 29  5  1  0  0  0  0
  4  3  1  0  0  0  0
  4 29  1  0  0  0  0
 32 36  1  0  0  0  0
 32 18  1  6  0  0  0
 27  1  1  0  0  0  0
 36 19  1  0  0  0  0
 20 19  1  0  0  0  0
  2  3  1  0  0  0  0
 21 20  1  0  0  0  0
  2 27  1  0  0  0  0
 21 22  1  6  0  0  0
 34 21  1  0  0  0  0
  2 25  1  1  0  0  0
  4 26  1  1  0  0  0
 27 28  1  1  0  0  0
 29 30  2  0  0  0  0
 32 33  1  1  0  0  0
 34 35  1  0  0  0  0
 36 37  1  6  0  0  0
M  END
> <LM_ID>
LMST01010194

> <COMMON_NAME>
inokosterone

> <SYSTEMATIC_NAME>
(22R,25R)-2beta,3beta,14,20,22,26-hexahydroxy-5beta-cholest-7-en-6-one

> <FORMULA>
C27H44O7

> <MASS>
480.31

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Cholesterol and derivatives [ST0101]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
Inokosterone

> <INCHI_KEY>
JQNVCUBPURTQPQ-GYVHUXHASA-N

> <INCHI>
InChI=1S/C27H44O7/c1-15(14-28)5-6-23(32)26(4,33)22-8-10-27(34)17-11-19(29)18-12-20(30)21(31)13-24(18,2)16(17)7-9-25(22,27)3/h11,15-16,18,20-23,28,30-34H,5-10,12-14H2,1-4H3/t15-,16+,18+,20-,21+,22+,23-,24-,25-,26-,27-/m1/s1

> <SMILES>
C1[C@H](O)[C@H](O)C[C@@]2([H])C(=O)C=C3[C@@]([H])([C@]21C)CC[C@]1(C)[C@@]([H])([C@](O)(C)[C@H](O)CC[C@H](CO)C)CC[C@]13O

> <KEGG_ID>
C08819

> <HMDB_ID>
-

> <CHEBI_ID>
27495

> <ABBREVIATION>
ST 27:2;O7

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
441828

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$