LMST01031330
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
   10.6682    8.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8283    8.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6519    7.5609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9964    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8201    9.9300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8363    7.0308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6642   10.4193    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9964    7.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1645    8.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9882    9.4447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1645    7.0267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3450    8.4702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3450    7.5079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4968    7.0267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8451    8.1309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.4498    8.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0191    9.4506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5393    9.9382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5393   10.9012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5351    8.9635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5351    8.0005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2850   10.8501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4563   10.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   11.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9584   11.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4563   11.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6223   11.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2903   11.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6264   11.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7923   10.2320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7923   11.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8662    6.0312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1244   10.1950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0214    6.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9584   12.6766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 15  1  6  0  0  0
  3  6  1  0  0  0  0
 18  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  1  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  1  0  0  0
 23 18  1  0  0  0  0
 18 20  1  0  0  0  0
 20 16  1  0  0  0  0
 23 17  1  0  0  0  0
 16 17  1  0  0  0  0
 18 19  1  1  0  0  0
 20 21  1  6  0  0  0
 23 22  1  6  0  0  0
 23 26  1  0  0  0  0
 26 28  1  0  0  0  0
 28 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 31  1  0  0  0  0
 26 27  1  6  0  0  0
 31 29  1  0  0  0  0
 31 30  1  0  0  0  0
  6 32  2  0     0  0
 24 33  1  0     0  0
  8 34  1  6     0  0
 25 35  1  6     0  0
M  END
> <LM_ID>
LMST01031330

> <COMMON_NAME>


> <SYSTEMATIC_NAME>
3beta,5alpha,9alpha-Trihydroxy-(22E,24R)-23-methyl-ergosta-7,22-dien-6-one

> <FORMULA>
C29H46O4

> <MASS>
458.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Ergosterols and C24-methyl derivatives [ST0103]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
MRERMGPPCLQIPD-ZLRVESLVSA-N

> <INCHI>
InChI=1S/C29H46O4/c1-17(2)20(5)18(3)14-19(4)22-8-9-23-24-15-25(31)29(33)16-21(30)10-11-27(29,7)28(24,32)13-12-26(22,23)6/h14-15,17,19-23,30,32-33H,8-13,16H2,1-7H3/b18-14+/t19-,20-,21+,22-,23+,26-,27-,28-,29+/m1/s1

> <SMILES>
C12=CC(=O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@@]1(O)CC[C@@]1(C)[C@@]2([H])CC[C@@]1([C@H](C)/C=C(\C)/[C@H](C)C(C)C)[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:3;O4

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
10742552

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
5353

> <CITATION>
-

$$$$