LMPR0104130004
  LIPID_MAPS_STRUCTURE_DATABASE

 24 27  0  0  0  0  0  0  0  0999 V2000
    7.7663    7.7381    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0794    8.1375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4383    8.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7663    6.9390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4383    7.3460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3851    7.7418    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.0597    8.9327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4409    8.9251    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.0757    6.5360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1167    8.5333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3814    6.9390    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.6907    8.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3775    8.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7504    9.3284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8671    8.7348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6907    6.5397    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.0000    7.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.9466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2512    5.5741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0757    7.3497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3775    6.1477    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6667    5.5641    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8961    5.7705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6896    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  6  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  8  3  1  6  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  6  0  0  0
  7 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  6  0  0  0
 16 19  1  1  0  0  0
  8 10  1  0  0  0  0
  8 14  1  0  0  0  0
  9 11  1  0  0  0  0
 17 18  1  0  0  0  0
  2 20  1  1  0  0  0
 11 21  1  1  0  0  0
 23 22  2  0  0  0  0
 23 24  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104130004

> <COMMON_NAME>
ent-kaur-16-en-19-oic acid

> <SYSTEMATIC_NAME>
ent-kaur-16-en-19-oic acid

> <FORMULA>
C20H30O2

> <MASS>
302.22

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Kaurane and phyllocladane diterpenoids [PR010413]

> <SYNONYMS>
ent-kaur-16-en-19-oic acid; ent-kaurenoic acid

> <INCHI_KEY>
NIKHGUQULKYIGE-MHHCCDILSA-N

> <INCHI>
InChI=1S/C20H30O2/c1-13-11-20-10-7-15-18(2,16(20)6-5-14(13)12-20)8-4-9-19(15,3)17(21)22/h14-16H,1,4-12H2,2-3H3,(H,21,22)/t14?,15-,16-,18+,19+,20+/m0/s1

> <SMILES>
[C@@]123CC([C@@H](CC[C@@]1([H])[C@]1(C)CCC[C@@](C)(C(O)=O)[C@@]1([H])CC2)C3)=C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
3034087

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$