LMPR0104090001
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    7.6044    7.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763    7.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    7.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    8.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4763    9.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6044    8.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2200    7.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0918    7.7358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0918    8.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2200    9.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9637    9.2459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9637   10.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0918   10.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2200   10.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    9.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9729    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9796    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8355    8.7425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0918    9.5607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3482    6.7290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9637    7.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.2324    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8355   10.7560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7074   10.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5792   10.7560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7074    9.2459    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2322    8.5247    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
  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  1  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
 11 18  1  6  0  0  0
  9 19  1  1  0  0  0
  3 20  1  6  0  0  0
  8 21  2  0  0  0  0
  1 22  1  1  0  0  0
 12 23  2  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 10 27  1  6     0  0
M  END
> <LM_ID>
LMPR0104090001

> <COMMON_NAME>
(-)-Cassaic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cassane and vouacapane diterpenoids [PR010409]

> <SYNONYMS>


> <INCHI_KEY>
YIEVFZIFSUHCIY-ZJQIDMIFSA-N

> <INCHI>
InChI=1S/C20H30O4/c1-11-12(9-17(23)24)5-6-13-18(11)14(21)10-15-19(2,3)16(22)7-8-20(13,15)4/h9,11,13,15-16,18,22H,5-8,10H2,1-4H3,(H,23,24)/b12-9-/t11-,13-,15-,16-,18-,20+/m0/s1

> <SMILES>
[C@H]1(O)CC[C@]2(C)[C@@]3([H])CC/C(=C/C(=O)O)/[C@H](C)[C@]3([H])C(=O)C[C@@]2([H])C1(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608212

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
53876

> <CITATION>
-

$$$$