LMPR0104110001
  LIPID_MAPS_STRUCTURE_DATABASE

 23 25  0  0  0  0  0  0  0  0999 V2000
    5.0000    6.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7145    5.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    6.3746    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4290    7.1996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7145    7.6121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.1996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    5.9620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    6.3746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    7.1996    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1435    7.6121    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5726    7.6121    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5726    8.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    8.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1435    8.4372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    8.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1270    5.2475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    8.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861    7.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4290    5.5495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8580    8.0246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2870    9.6747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2861    6.3751    0.0000 O   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  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 10  1  0  0  0  0
  4 15  1  1  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
 12 18  1  0  0  0  0
 11 19  1  0  0  0  0
  3 20  1  6  0  0  0
  9 21  1  1  0  0  0
 18 22  2  0  0  0  0
 19 23  2  0  0  0  0
M  END
> <LM_ID>
LMPR0104110001

> <COMMON_NAME>
(+)-12-Isocopalene-15,16-dial

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H30O2

> <MASS>
302.22

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Isocopalane and spongiane diterpenoids [PR010411]

> <SYNONYMS>


> <INCHI_KEY>
NPOWRDFGFIYMIY-FNBBUQMSSA-N

> <INCHI>
InChI=1S/C20H30O2/c1-18(2)9-5-10-20(4)16(18)8-11-19(3)15(13-22)14(12-21)6-7-17(19)20/h6,12-13,15-17H,5,7-11H2,1-4H3/t15?,16-,17?,19-,20-/m0/s1

> <SMILES>
C1CC[C@]2(C)C3CC=C(C=O)C(C=O)[C@]3(C)CC[C@@]2([H])C1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608218

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$