LMPR0103370009
  LIPID_MAPS_STRUCTURE_DATABASE

 31 33  0     0  0            999 V2000
    6.1138    8.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1138    7.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9874    7.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8611    7.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8611    8.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9874    9.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7348    7.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6084    7.7945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6084    8.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7348    9.3078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8611    9.8122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4830    6.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4918    6.4165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8611    6.7857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7348    6.2813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9445   10.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9477   10.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3580    9.4784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2753   11.0377    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7348    8.3078    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6008    5.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6008    4.7813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4668    6.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3329    5.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1989    6.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0649    5.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9309    6.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7970    5.7813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6630    6.2813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5290    5.7813    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6630    7.2813    0.0000 O   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
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  5 11  1  1  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4 14  1  6  0  0  0
  7 15  1  1     0  0
 10 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18  9  1  0     0  0
 16 19  2  0     0  0
 10 20  1  6     0  0
 15 21  1  0     0  0
 21 22  2  0     0  0
 21 23  1  0     0  0
 23 24  2  0     0  0
 24 25  1  0     0  0
 25 26  2  0     0  0
 26 27  1  0     0  0
 27 28  2  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 29 31  2  0     0  0
M  END
> <LM_ID>
LMPR0103370009

> <COMMON_NAME>
Ustusolate F

> <SYSTEMATIC_NAME>


> <FORMULA>
C23H28O7

> <MASS>
416.18

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Drimane sesquiterpenoids [PR010337]

> <SYNONYMS>


> <INCHI_KEY>
GJXCTYKNVWKUHV-PYOXOKMOSA-N

> <INCHI>
InChI=1S/C23H28O7/c1-21(2)11-8-12-22(3)19(21)16(13-15-14-29-20(27)23(15,22)28)30-18(26)10-7-5-4-6-9-17(24)25/h4-7,9-10,13,16,19,28H,8,11-12,14H2,1-3H3,(H,24,25)/b5-4+,9-6+,10-7+/t16-,19+,22+,23+/m1/s1

> <SMILES>
C1C[C@]2(C)[C@@]3(O)C(=O)OCC3=C[C@@H](OC(/C=C/C=C/C=C/C(=O)O)=O)[C@@]2([H])C(C)(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
100616602

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
40382

> <CITATION>
33346651

$$$$