LMPR0103540003
  LIPID_MAPS_STRUCTURE_DATABASE

 34 38  0     0  0            999 V2000
    4.7815   10.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7815    9.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6355    9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4894    9.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4894   10.9457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6355   11.4388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437   11.2506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2641   10.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8437    9.6551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7815    8.9736    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5880    9.2116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1866   10.2485    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3434    9.4667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3434    8.4806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7815   11.9318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1973    9.9597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6764   12.4175    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1070   11.9671    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0581   12.2760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8631    9.5520    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9693   13.1246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0034   12.8658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2963   13.5729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3303   13.3141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6232   14.0212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6573   13.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0498   14.4695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0157   14.2107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7228   14.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6888   14.6590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3959   15.3661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3618   15.1073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2281   14.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9653    8.3005    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
  1  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9  2  1  0  0  0  0
  2 10  1  1  0  0  0
  3 11  1  6  0  0  0
  5 12  1  6  0  0  0
 12 11  1  0  0  0  0
  4 13  1  1  0  0  0
 13 14  1  0  0  0  0
  1 15  1  1  0  0  0
 13 16  2  0  0  0  0
  6 17  1  6  0  0  0
 18 19  1  0     0  0
  7 19  1  6     0  0
  7 18  1  0     0  0
  9 20  1  1     0  0
  8 20  1  1     0  0
 17 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 24  1  0     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 26 27  1  0     0  0
 27 28  1  0     0  0
 28 29  1  0     0  0
 29 30  1  0     0  0
 30 31  1  0     0  0
 31 32  1  0     0  0
 21 33  2  0     0  0
 11 34  2  0  0  0  0
M  END
> <LM_ID>
LMPR0103540003

> <COMMON_NAME>
Austrobuxusin E

> <SYSTEMATIC_NAME>


> <FORMULA>
C27H40O7

> <MASS>
476.28

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Picrotoxane sesquiterpenoids [PR010354]

> <SYNONYMS>


> <INCHI_KEY>
FMYQBFRKVMAHBX-PSBYXLADSA-N

> <INCHI>
InChI=1S/C27H40O7/c1-5-6-7-8-9-10-11-12-13-14-17(28)32-21-20-18(16(2)3)19(24(29)33-20)27(30)23-22(34-23)26(15-31-26)25(21,27)4/h18-23,30H,2,5-15H2,1,3-4H3/t18-,19+,20+,21+,22+,23-,25-,26+,27-/m0/s1

> <SMILES>
[C@]12(C)[C@]3(OC3)[C@@H]3O[C@@H]3[C@@]1(O)[C@H]1C(=O)O[C@@H]([C@H]2OC(=O)CCCCCCCCCCC)[C@H]1C(=C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
154585429

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
256808

> <CITATION>
33016067

$$$$