LMST03020376
  LIPID_MAPS_STRUCTURE_DATABASE

 35 37  0     0  0            999 V2000
    9.3620    6.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751    6.3605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5882    6.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5882    7.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751    8.4086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751    9.4771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3309    9.9713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3309   10.9594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751   11.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3620    7.8966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4751   12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3309   12.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867   12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867   11.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8983   11.4536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8983   12.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0425   12.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867   13.2076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1867   10.7030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7930   13.3693    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0425   13.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8982   14.4181    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7540   13.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6098   14.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4654   13.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3213   14.4181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4654   12.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0425   14.9122    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0880   14.1798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2176    8.3907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2177    6.3785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1770   13.9240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3212   12.4419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6098   15.4062    0.0000 O   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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 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
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  8 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  1  0  0  0
 14 19  1  6  0  0  0
 17 20  1  6  0  0  0
 17 21  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 25 27  1  0  0  0  0
 21 28  1  1  0  0  0
 21 29  1  6  0  0  0
  3 30  1  6  0  0  0
 10 31  2  0  0  0  0
  1 32  1  1  0  0  0
 26 33  1  0  0  0  0
 27 34  1  0  0  0  0
 24 35  1  1  0  0  0
M  END
> <LM_ID>
LMST03020376

> <COMMON_NAME>
(24S)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxavitamin D3

> <SYSTEMATIC_NAME>
(5Z,7E)-(1S,3R,24S)-26,27-dimethyl-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol

> <FORMULA>
C28H46O4

> <MASS>
446.34

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Secosteroids [ST03]

> <SUB_CLASS>
Vitamin D3 and derivatives [ST0302]

> <CLASS_LEVEL4>
-

> <SYNONYMS>
(24S)-1alpha,24-dihydroxy-26,27-dimethyl-22-oxacholecalciferol

> <INCHI_KEY>
OZYSSKAEOAUHFU-HLZCVFOCSA-N

> <INCHI>
InChI=1S/C28H46O4/c1-6-20(7-2)27(31)17-32-19(4)24-12-13-25-21(9-8-14-28(24,25)5)10-11-22-15-23(29)16-26(30)18(22)3/h10-11,19-20,23-27,29-31H,3,6-9,12-17H2,1-2,4-5H3/b21-10+,22-11-/t19-,23+,24+,25-,26-,27+,28+/m0/s1

> <SMILES>
[C@@H]1(O)C(=C)/C(=C\C=C2\[C@]3([H])CC[C@@]([C@@](C)([H])OC[C@@H](O)C(CC)CC)([H])[C@@]3(C)CCC\2)/C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
178550

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
9547488

> <LIPIDBANK_ID>
VVD0460

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
32630

> <CITATION>
-

$$$$