LMPR0104310005
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0  0  0  0  0  0  0  0999 V2000
   10.9619   -5.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2158   -6.5723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2158   -7.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0877   -8.0824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9597   -7.5790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2583   -6.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6666   -7.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2583   -7.8901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6597   -7.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7468   -8.2068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7284   -7.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1652   -7.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7284   -6.1685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9566   -5.6930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9303   -6.2339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7323   -6.2439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5447   -5.4063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7049   -6.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9978   -8.8627    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4585   -4.9873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4858   -6.7968    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6038   -7.0976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7123   -5.7005    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.0370   -7.5790    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0388   -5.2109    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0808   -8.1246    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8930   -5.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9801   -4.1308    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9868   -5.5497    0.0000 O   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  2  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
 12 24  1  6     0  0
 13 25  1  6     0  0
  3 26  1  6     0  0
 23 27  1  0     0  0
 27 28  1  0     0  0
 27 29  2  0     0  0
M  END
> <LM_ID>
LMPR0104310005

> <COMMON_NAME>
Jolkinol D

> <SYSTEMATIC_NAME>


> <FORMULA>
C22H32O4

> <MASS>
360.23

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Lathyrane diterpenoids [PR010431]

> <SYNONYMS>


> <INCHI_KEY>
VOSTXBQUXUOFQQ-FTKVYYONSA-N

> <INCHI>
InChI=1S/C22H32O4/c1-12-7-8-16-17(21(16,5)6)10-13(2)20(25)22(26-15(4)23)11-14(3)19(24)18(22)9-12/h9-10,14,16-19,24H,7-8,11H2,1-6H3/b12-9+,13-10+/t14-,16-,17+,18-,19-,22+/m0/s1

> <SMILES>
C1(=O)C(C)=C[C@@]2([H])C(C)(C)[C@@]2([H])CCC(C)=C[C@@]2([H])[C@@H](O)[C@@H](C)C[C@]12OC(=O)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
71719801

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
457253

> <CITATION>
-

$$$$