LMST01040275
  LIPID_MAPS_STRUCTURE_DATABASE

 36 39  0     0  0            999 V2000
    8.6260    9.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7222    8.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7222    7.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4326    9.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5295    8.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4326   10.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365   10.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2395   10.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2395    9.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1429   10.7548    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2395   11.0417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5295    9.3988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1429   11.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2936   11.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8658   12.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5885   11.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7281   11.0926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1429   12.4793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4326    8.3980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    7.0100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365    8.6685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0463   10.2331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0463    9.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3365    7.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4326    7.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5295    7.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3112   12.0065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0338   10.5463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9370   12.1108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0338   11.5893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5295    6.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6260    7.1037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6260    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3112   13.0496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4078   13.5710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2025    7.1253    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 32  1  0  0  0  0
 26 32  1  0  0  0  0
 25 24  1  0  0  0  0
 21 24  1  0  0  0  0
 21  4  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 23  1  0  0  0  0
 23 22  1  0  0  0  0
 10 22  1  0  0  0  0
 10 13  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 27 30  1  0  0  0  0
  5  1  1  0  0  0  0
  5 26  1  0  0  0  0
  4  5  1  0  0  0  0
 21  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  1  0  0  0
  5 12  1  1  0  0  0
 13 14  1  0  0  0  0
 10 17  1  6  0  0  0
 13 18  1  1  0  0  0
  4 19  1  6  0  0  0
  3 20  1  1  0  0  0
 26 25  1  0  0  0  0
 26 31  1  6  0  0  0
 27 34  1  6  0  0  0
 30 28  1  0  0  0  0
 30 29  1  0  0  0  0
 32 33  2  0  0  0  0
 34 35  1  0  0  0  0
 24 36  1  6     0  0
M  END
> <LM_ID>
LMST01040275

> <COMMON_NAME>
7alpha-Theonellasterol

> <SYSTEMATIC_NAME>
4-methylene-5alpha-poriferast-8(14)-en-3beta,7alpha-diol

> <FORMULA>
C30H50O2

> <MASS>
442.38

> <CATEGORY>
Sterol Lipids [ST]

> <MAIN_CLASS>
Sterols [ST01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
QHONYVSXQIQORT-SWHREZDZSA-N

> <INCHI>
InChI=1S/C30H50O2/c1-8-21(18(2)3)10-9-19(4)22-11-12-23-28-24(13-15-29(22,23)6)30(7)16-14-26(31)20(5)25(30)17-27(28)32/h18-19,21-22,24-27,31-32H,5,8-17H2,1-4,6-7H3/t19-,21+,22-,24+,25+,26+,27-,29-,30-/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)CCC4=C3[C@H](O)C[C@@]2([H])C(=C)[C@@H](O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
ST 30:2;O2

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21606528

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
37505

> <CITATION>
-

$$$$