LMPR0103540013
  LIPID_MAPS_STRUCTURE_DATABASE

 29 33  0     0  0            999 V2000
    6.9326    7.4658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9326    6.4859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7810    5.9960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6295    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6295    7.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7810    7.9555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0006    7.7684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4245    6.9759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0006    6.1831    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5796    8.5528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0035    9.3456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0716    9.0428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0716    8.0631    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0261    6.0806    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2789    9.6188    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7810    8.9353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5106    7.0318    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5761    5.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4782    5.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8301    5.5113    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1047    8.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3269    6.4858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4782    5.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5099    4.4847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3064   10.2774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6508   11.0057    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2649   10.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9599   11.9567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2964   10.0527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  1  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9  2  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13  7  1  0     0  0
  7 10  1  6     0  0
  9 14  1  1     0  0
  8 14  1  1     0  0
 12 15  2  0     0  0
  6 16  1  6     0  0
  5 17  1  6     0  0
  3 18  1  6     0  0
  4 19  1  1     0  0
  2 20  1  1     0  0
  1 21  1  1     0  0
 19 22  1  0     0  0
 19 23  1  0     0  0
 18 24  2  0     0  0
 18 17  1  0     0  0
 11 25  1  0     0  0
 25 26  1  0     0  0
 25 27  1  1     0  0
 26 28  1  0     0  0
 11 29  1  6     0  0
M  END
> <LM_ID>
LMPR0103540013

> <COMMON_NAME>
Austrobuxusin K

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O9

> <MASS>
412.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Picrotoxane sesquiterpenoids [PR010354]

> <SYNONYMS>


> <INCHI_KEY>
GYLVJXZPOTYBBV-QNZLSBQNSA-N

> <INCHI>
InChI=1S/C20H28O9/c1-7(2)9-10-15(22)27-11(9)12(21)17(4)19(13-14(28-13)20(10,17)25)6-18(24,8(3)26-5)16(23)29-19/h7-14,21,24-25H,6H2,1-5H3/t8-,9-,10+,11+,12+,13+,14-,17-,18-,19+,20-/m0/s1

> <SMILES>
[C@]12(C)[C@@]3(C[C@](O)([C@H](C)OC)C(=O)O3)[C@@H]3O[C@@H]3[C@@]1(O)[C@H]1C(O[C@@H]([C@H]2O)[C@H]1C(C)C)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
154585435

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
256808

> <CITATION>
33016067

$$$$