LMPR0104040001
  LIPID_MAPS_STRUCTURE_DATABASE

 25 27  0     0  0            999 V2000
    6.0606    8.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    7.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    7.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    8.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    9.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    7.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    7.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    8.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587    9.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6587   10.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9267    6.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    9.7561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7926    6.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5247    9.7561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4907    9.0149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7835   10.7219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7494   10.9808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0765   11.4291    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9516   10.9631    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2104   11.9291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0765   12.4291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8686   13.4073    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8739   13.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4673   12.5982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  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  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
 10 11  1  1  0  0  0
  3 12  1  0  0  0  0
  5 13  1  1  0  0  0
  4 14  1  6  0  0  0
 10 15  1  6  0  0  0
  9 16  1  6  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104040001

> <COMMON_NAME>
Junceic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C21H30O3

> <MASS>
330.22

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Colensane and clerodane diterpenoids [PR010404]

> <SYNONYMS>


> <INCHI_KEY>
LBRHEHIYYRNPKH-GKBFQHABSA-N

> <INCHI>
InChI=1S/C21H30O3/c1-15-5-4-6-18-20(15,3)10-7-16(2)21(18,13-19(22)23)11-8-17-9-12-24-14-17/h5,9,12,14,16,18H,4,6-8,10-11,13H2,1-3H3,(H,22,23)/t16-,18+,20+,21-/m1/s1

> <SMILES>
C1C[C@]2([H])[C@@](CC(=O)O)(CCC3C=COC=3)[C@H](C)CC[C@@]2(C)C(C)=C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608208

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
330184

> <CITATION>
-

$$$$