LMST01040130
  LIPID_MAPS_STRUCTURE_DATABASE

 35 38  0  0  0  0  0  0  0  0999 V2000
    6.9066    6.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1183    6.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1183    5.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9066    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6948    5.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4831    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2715    5.4552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2715    6.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4831    6.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6948    6.3654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4831    7.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2715    8.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0597    7.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0597    6.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6364    6.8206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6364    7.7308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8481    8.1860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0597    8.4363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6948    7.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8481    8.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1068    9.1127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4787    9.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1093    8.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7399    9.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3705    8.9142    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0012    9.2782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3705    8.2994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3586    8.4807    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8481    9.6906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.1297    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7385    9.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0885   10.2867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2715    7.1392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4659    6.0550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0597    6.1143    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  2  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 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  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  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
  8 33  1  1  0  0  0
  9 34  1  6  0  0  0
 14 35  1  6  0  0  0
M  END
> <LM_ID>
LMST01040130

> <COMMON_NAME>
Poriferasterol

> <SYSTEMATIC_NAME>
poriferasta-5,22E-dien-3beta-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>
HCXVJBMSMIARIN-KEJCWXRGSA-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/h8-10,19-21,23-27,30H,7,11-18H2,1-6H3/b9-8+/t20-,21+,23+,24+,25-,26+,27+,28+,29-/m1/s1

> <SMILES>
C1[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@@]([H])([C@]([H])(C)/C=C/[C@H](CC)C(C)C)CC[C@@]4([H])[C@]3([H])CC=C2C[C@@H](O)C1

> <KEGG_ID>
C08836

> <HMDB_ID>
-

> <CHEBI_ID>
8334

> <ABBREVIATION>
ST 29:2;O

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281330

> <LIPIDBANK_ID>
SST9092

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$