LMPR0104210001
  LIPID_MAPS_STRUCTURE_DATABASE

 24 25  0     0  0            999 V2000
    6.0608    9.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406    7.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8206    8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8206    9.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406    9.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7006    7.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5805    8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5805    9.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7006    9.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4605    7.8849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3405    8.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3405    9.4090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4605    9.9171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406    6.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0608    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8206    6.3608    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9406   10.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4605   10.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5805    9.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8206   10.4251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8206    7.3769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3405   11.4412    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5805   11.4412    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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14  9  1  0  0  0  0
  3 15  1  1  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
  6 18  2  0  0  0  0
 14 19  1  0  0  0  0
  8 20  1  0  0  0  0
  5 21  1  6  0  0  0
  4 22  1  1  0  0  0
 19 23  1  0  0  0  0
 19 24  2  0  0  0  0
M  END
> <LM_ID>
LMPR0104210001

> <COMMON_NAME>
Magdalenic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H30O2

> <MASS>
302.22

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Eunicellane and asbestinane diterpenoids [PR010421]

> <SYNONYMS>


> <INCHI_KEY>
WFSJUNZXGBJBSF-FDIPDKTDSA-N

> <INCHI>
InChI=1S/C20H30O2/c1-13(2)17-10-8-15(4)18-11-9-16(20(21)22)7-5-6-14(3)12-19(17)18/h7,12-13,17-19H,4-6,8-11H2,1-3H3,(H,21,22)/b14-12+,16-7+/t17-,18-,19-/m1/s1

> <SMILES>
C1C(=C)[C@@]2([H])CCC(C(=O)O)=CCCC(C)=C[C@]2([H])[C@@H](C(C)C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608229

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
16383

> <CITATION>
-

$$$$