LMPR0104310004
  LIPID_MAPS_STRUCTURE_DATABASE

 36 40  0  0  0  0  0  0  0  0999 V2000
    9.2905    7.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6779    6.8805    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6779    6.0539    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.3938    5.6406    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.1097    6.0539    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8918    7.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4060    6.4672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8918    5.7985    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.5793    6.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7560    5.5385    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5618    5.7225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9205    6.4672    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   11.5618    7.2120    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.9282    7.6025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0856    7.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3861    7.1502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9706    7.7347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1846    6.9363    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6779    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8772    8.1819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1097    6.8805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0856    8.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6364    6.0539    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8168    7.9983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2646    7.5963    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1097    5.2273    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4662    7.8103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8817    7.2258    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2523    8.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4539    8.8227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2399    9.6211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6532   10.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2399   11.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4133   11.0528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000   10.3370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4133    9.6211    0.0000 C   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
  2  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  3  1  0  0  0  0
  7  9  1  1  0  0  0
  5 10  1  0  0  0  0
 10 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
  1 15  1  0  0  0  0
 15 14  2  0  0  0  0
 16 12  1  1  0  0  0
 16 13  1  1  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  8 19  1  1  0  0  0
  1 20  2  0  0  0  0
  5 21  1  0  0  0  0
 15 22  1  0  0  0  0
 12 23  1  6  0  0  0
 13 24  1  6  0  0  0
  2 25  1  1  0  0  0
  4 26  1  6  0  0  0
  5 26  1  6  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 31  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104310004

> <COMMON_NAME>
(-)-Jolkinol B

> <SYSTEMATIC_NAME>


> <FORMULA>
C29H36O5

> <MASS>
464.26

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Lathyrane diterpenoids [PR010431]

> <SYNONYMS>


> <INCHI_KEY>
OMBNGHNNZSKBRK-QOYUJADGSA-N

> <INCHI>
InChI=1S/C29H36O5/c1-17-15-21-20(27(21,3)4)13-14-28(5)26(34-28)23-24(31)18(2)16-29(23,25(17)32)33-22(30)12-11-19-9-7-6-8-10-19/h6-12,15,18,20-21,23-24,26,31H,13-14,16H2,1-5H3/b12-11+,17-15-/t18-,20-,21+,23?,24-,26+,28+,29+/m0/s1

> <SMILES>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608247

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$