LMPR0104310004
  LIPID_MAPS_STRUCTURE_DATABASE

 37 41  0  0  0  0  0  0  0  0999 V2000
   11.6001   -7.5763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8603   -8.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8603   -9.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7248   -9.7808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5894   -9.2817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9109   -7.9750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3242   -8.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9109   -9.5901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3258   -8.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3699   -9.9041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3431   -9.6819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7763   -8.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3431   -7.8831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5779   -7.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5603   -7.4038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3386   -7.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1441   -7.1273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3029   -8.1662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6526  -10.5545    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1009   -6.7118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5894   -8.2834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5603   -6.4055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3611   -7.4190    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5894  -10.2800    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3969   -7.1605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6910   -7.8664    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1386   -6.1963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1744   -5.9379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9159   -4.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4151   -4.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9159   -3.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9177   -3.2447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4185   -4.1091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9177   -4.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6408   -9.2817    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6510   -6.9335    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7264   -9.8226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  2  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  3  1  0     0  0
  7  9  1  1     0  0
  5 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
  1 15  1  0     0  0
 15 14  2  0     0  0
 16 12  1  0     0  0
 16 13  1  0     0  0
 16 17  1  0     0  0
 16 18  1  0     0  0
  8 19  1  1     0  0
  1 20  2  0     0  0
  5 21  1  0     0  0
 15 22  1  0     0  0
  2 23  1  1     0  0
  4 24  1  6     0  0
  5 24  1  6     0  0
 23 25  1  0     0  0
 25 26  2  0     0  0
 25 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 30  2  0     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 32 33  1  0     0  0
 33 34  2  0     0  0
 34 29  1  0     0  0
 12 35  1  6     0  0
 13 36  1  6     0  0
  3 37  1  6     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-ZWGNGGKISA-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>
C1(=O)C(C)=C[C@@]2([H])C(C)(C)[C@@]2([H])CC[C@]2(O[C@@H]2[C@@]2([H])[C@@H](O)[C@@H](C)C[C@]12OC(/C=C/C1C=CC=CC=1)=O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
178334388

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
457253; 457253

> <CITATION>
-

$$$$