LMPR01040117
  LIPID_MAPS_STRUCTURE_DATABASE

 23 23  0     0  0            999 V2000
   11.3166    8.3008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7101    6.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3239    8.3673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9457    7.4452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9209    9.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0279    7.0506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9904    9.6634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6187   10.0040    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0974    7.4161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0443    6.0537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0183    9.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3454    6.7598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7069    8.3342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4900    7.2706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7099    8.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0537    8.9987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5071    7.0679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9254    7.9733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8424    6.1324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5051    7.0236    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5332    7.2396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5745   10.0720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6880    6.2517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  4  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  1  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 14 15  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0     0  0
 21  2  1  0  0  0  0
 21  1  1  0  0  0  0
  5 22  1  6     0  0
 21 17  1  6  0  0  0
 21 23  1  1     0  0
M  END
> <LM_ID>
LMPR01040117

> <COMMON_NAME>
Sarcophytrol J

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H34O3

> <MASS>
322.25

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
DDUWQTPSMMTVDA-XNALIPRVSA-N

> <INCHI>
InChI=1S/C20H34O3/c1-16-8-6-9-17(2)11-13-20(23,18(3,4)21)15-14-19(5,22)12-7-10-16/h9-10,14-15,21-23H,6-8,11-13H2,1-5H3/b15-14+,16-10+,17-9+/t19-,20+/m1/s1

> <SMILES>
C1[C@](O)(C(O)(C)C)CCC(C)=CCCC(C)=CCC[C@@](C)(O)C=1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
162941476

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
205097

> <CITATION>
33819542

$$$$