LMPR0104520001
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0  0  0  0  0  0  0  0999 V2000
    6.8522    9.1190    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.8522    8.2940    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6369    8.0391    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.1218    8.7065    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6369    9.3740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1378    9.5315    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4233    9.1190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4233    8.2940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1378    7.8815    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8918    7.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6988    7.0829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9123    6.2860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7092    6.0725    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2925    6.6559    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0790    7.4527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2821    7.6663    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7092    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4237    5.6600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1378    7.0565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8522    9.9440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    7.2981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1378   10.3565    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    6.8522    7.4690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9187    8.9200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0894    6.4423    0.0000 Br  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  1  1  0  0  0  0
  1  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  2  1  0  0  0  0
  3 10  1  1  0  0  0
 10 11  2  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 11  1  0  0  0  0
 13 17  1  0  0  0  0
 13 18  1  0  0  0  0
  9 19  1  1  0  0  0
  1 20  1  6  0  0  0
  9 21  1  6  0  0  0
  6 22  1  6  0  0  0
  2 23  1  1  0  0  0
  4 24  1  1  0  0  0
 14 25  1  6  0  0  0
M  END
> <LM_ID>
LMPR0104520001

> <COMMON_NAME>
Iriediol

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H32Br2O2

> <MASS>
462.08

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Irieol diterpenoids [PR010452]

> <SYNONYMS>


> <INCHI_KEY>
YBUXHLOZPRIUQN-FDONUVHQSA-N

> <INCHI>
InChI=1S/C20H32Br2O2/c1-18(2)10-12(5-6-15(18)21)9-13-14(23)11-19(3)16(22)7-8-20(4,24)17(13)19/h9,13-17,23-24H,5-8,10-11H2,1-4H3/b12-9+/t13-,14-,15+,16+,17+,19-,20-/m1/s1

> <SMILES>
[C@@]12(C)[C@@H](Br)CC[C@](O)(C)[C@@]1([H])[C@H](/C=C1\CC[C@H](Br)C(C)(C)C\1)[C@H](O)C2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23425279

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
99900

> <CITATION>
-

$$$$