LMST03060002
  LIPID_MAPS_STRUCTURE_DATABASE

 32 35  0     0  0            999 V2000
   11.1927    7.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611    8.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611    9.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927    9.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    9.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    8.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9871    8.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9871    9.2876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0556    9.8254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240   10.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0556   10.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1797   10.9204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8008   11.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5459   10.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2911   11.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0362   10.6858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7814   11.1161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0362    9.9595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1240    7.3952    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8726   10.2971    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0556   11.5027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2911   11.8338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3295    7.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3295    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2611    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1927    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    8.2120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4663    7.6742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4663    6.5984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3979    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    6.1748    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3295    8.6020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  1  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  1  0  0  0
 11 12  1  6  0  0  0
  6 19  1  6  0  0  0
  9 20  1  6  0  0  0
 11 21  1  1  0  0  0
 15 22  1  1  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 26  1  0  0  0  0
 26  1  2  0  0  0  0
 23 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 24  1  0  0  0  0
 29 31  1  1  0  0  0
 23 32  1  1  0  0  0
M  END
> <LM_ID>
LMST03060002

> <COMMON_NAME>
Provitamin D7

> <SYSTEMATIC_NAME>
Campesta-5,7-dien-3beta-ol

> <FORMULA>
C28H46O

> <MASS>
398.35

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D7 and derivatives [ST0306]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
24R-methyl-5,7-cholestadien-3beta-ol; 7-dehydrocampesterol

> <INCHI_KEY>
ZKQRGSXITBHHPC-CBTBQNHGSA-N

> <INCHI>
InChI=1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3/t19-,20-,22+,24-,25+,26?,27+,28-/m1/s1

> <SMILES>
C12=CC=C3C[C@@H](O)CC[C@]3(C)C1CC[C@]1(C)[C@@]([H])([C@]([H])(C)CC[C@@H](C)C(C)C)CC[C@]12[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
173071

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547704

> <LIPIDBANK_ID>
VVD0418

> <ALT_CATEGORIES>
Sterol Lipids [ST]

> <ALT_MAIN_CLASSES>
Sterols [ST01]

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

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
7091; 32630

> <CITATION>
-

$$$$