LMST01040239
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0     0  0            999 V2000
    2.9882   -6.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956   -6.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1956   -7.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9882   -7.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807   -7.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5733   -7.9326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660   -7.4749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660   -6.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5733   -6.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807   -6.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5733   -5.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660   -4.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1584   -5.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1584   -6.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7436   -6.1021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7436   -5.1870    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9511   -4.7293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1584   -4.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807   -5.9190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9511   -3.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2058   -3.7975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5851   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2192   -3.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8532   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4872   -3.9972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1213   -3.6311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4872   -4.6153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4643   -4.4329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9511   -3.2165    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6287   -7.8021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8518   -3.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2036   -2.6172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7807   -8.0829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560   -6.8718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1584   -6.8123    0.0000 H   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  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
 17 20  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
  1 10  1  0  0  0  0
  5 10  1  0  0  0  0
  9 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
 10 19  1  1  0  0  0
 20 21  1  6  0  0  0
 17 28  1  6  0  0  0
 20 29  1  1  0  0  0
  3 30  1  1  0  0  0
 24 31  1  6  0  0  0
 31 32  1  0  0  0  0
  5 33  1  6  0  0  0
  9 34  1  6  0  0  0
 14 35  1  6  0  0  0
M  END
> <LM_ID>
LMST01040239

> <COMMON_NAME>
Porifersta-7,25(27)-dienol

> <SYSTEMATIC_NAME>
(3beta,5alpha,24S)-Stigmasta-7,25-dien-3-ol

> <FORMULA>
C29H48O

> <MASS>
412.37

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

> <SUB_CLASS>
Stigmasterols and C24-ethyl derivatives [ST0104]

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
CMQUSRGUOMCHOZ-XCFYOIDPSA-N

> <INCHI>
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h11,20-23,25-27,30H,2,7-10,12-18H2,1,3-6H3/t20-,21+,22+,23+,25-,26+,27+,28+,29-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)CC[C@H](CC)C(C)=C)CC[C@@]4([H])C3=CC[C@@]2([H])C[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
HMDB0030013

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 29:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5283655

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$