LMPR0104310003
  LIPID_MAPS_STRUCTURE_DATABASE

 38 42  0  0  0  0  0  0  0  0999 V2000
   11.6428   -7.6043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9004   -8.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9004   -9.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7681   -9.8167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6358   -9.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9476   -8.0044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3586   -8.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9476   -9.6255    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3568   -8.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4191   -9.9405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3958   -9.7176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8305   -8.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3958   -7.9121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6278   -7.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6066   -7.4311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3948   -7.9872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1034   -7.2786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3627   -8.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6882  -10.5932    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1419   -6.7366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6358   -8.3140    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6066   -6.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6982   -9.3158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7049   -6.9592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3995   -7.4463    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6358  -10.3177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7388   -5.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4317   -7.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7232   -7.8954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1724   -6.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2047   -5.9599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9454   -4.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4463   -4.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9454   -3.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9435   -3.2568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4425   -4.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9435   -4.9922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8633   -9.8870    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
  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  0  0  0  0
 16 13  1  0  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
 22 27  1  0  0  0  0
 25 28  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 32  1  0  0  0  0
  3 38  1  6     0  0
M  END
> <LM_ID>
LMPR0104310003

> <COMMON_NAME>
(-)-Jolkinol A

> <SYSTEMATIC_NAME>


> <FORMULA>
C29H36O6

> <MASS>
480.25

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Lathyrane diterpenoids [PR010431]

> <SYNONYMS>


> <INCHI_KEY>
ZLHWPIKKGZWBKR-JFVIVDKRSA-N

> <INCHI>
InChI=1S/C29H36O6/c1-17-15-29(34-22(31)11-10-18-8-6-5-7-9-18)23(24(17)32)26-28(4,35-26)13-12-20-21(27(20,2)3)14-19(16-30)25(29)33/h5-11,14,17,20-21,23-24,26,30,32H,12-13,15-16H2,1-4H3/b11-10+,19-14-/t17-,20-,21+,23+,24-,26+,28+,29+/m0/s1

> <SMILES>
C1(=O)C(CO)=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>
178334387

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
457253

> <CITATION>
-

$$$$