LMPR01040114
  LIPID_MAPS_STRUCTURE_DATABASE

 22 22  0     0  0            999 V2000
   11.3298    8.3105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7226    6.8134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3359    8.3771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9573    7.4539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9324    9.3004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0384    7.0588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0008    9.6746    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6311   10.0157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1068    7.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0549    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0277    9.2504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3540    6.7677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7159    8.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4974    7.2791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7178    8.2565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0607    9.0092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5217    7.0761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9404    7.9826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8573    6.1395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5207    7.0318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.7166    6.3570    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5466    7.2481    0.0000 C   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  2  0  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
 22  2  1  0  0  0  0
 22 21  1  0     0  0
 22 17  1  6  0  0  0
 22  1  1  0  0  0  0
M  END
> <LM_ID>
LMPR01040114

> <COMMON_NAME>
Ximaosarcophytol A

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H32O2

> <MASS>
304.24

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
BNIVTRCVVDILPN-ZMDNBJCBSA-N

> <INCHI>
InChI=1S/C20H32O2/c1-16-8-6-10-17(2)12-14-20(22,19(4,5)21)15-13-18(3)11-7-9-16/h8,11-12,14,21-22H,2,6-7,9-10,13,15H2,1,3-5H3/b14-12+,16-8+,18-11+/t20-/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121376

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
205097

> <CITATION>
33819542

$$$$