LMPR0103540020
  LIPID_MAPS_STRUCTURE_DATABASE

 26 31  0     0  0            999 V2000
    6.7982    7.4724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7982    6.4949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6445    6.0062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4909    6.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4909    7.4723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6445    7.9609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8685    7.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2938    6.9837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8685    6.1928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4461    8.5566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8713    9.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    9.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9418    8.0682    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8964    6.0906    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1510    9.6200    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3698    7.0395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4376    5.4737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3374    6.0061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6960    5.5227    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5866    7.0370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1841    6.4948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3374    5.0284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3716    4.4986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1735   10.2770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1297   10.4803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.0560    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
  5 16  1  6     0  0
  3 17  1  6     0  0
  4 18  1  1     0  0
  2 19  1  1     0  0
  1 20  1  1     0  0
 18 21  2  0     0  0
 18 22  1  0     0  0
 17 23  2  0     0  0
 17 16  1  0     0  0
 11 24  2  0     0  0
 24 25  1  0     0  0
 10 26  1  1     0  0
  6 26  1  6     0  0
M  END
> <LM_ID>
LMPR0103540020

> <COMMON_NAME>
Austrobuxusin D

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H20O7

> <MASS>
360.12

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Picrotoxane sesquiterpenoids [PR010354]

> <SYNONYMS>


> <INCHI_KEY>
UEBCKPWWSVUNBO-WETXCHJFSA-N

> <INCHI>
InChI=1S/C19H20O7/c1-5-7-11-19(26-15(7)20)14-13(25-14)18(22)9-8(6(2)3)10(23-16(9)21)12(24-11)17(18,19)4/h5,8-14,22H,2H2,1,3-4H3/b7-5+/t8-,9+,10+,11+,12+,13-,14+,17+,18-,19+/m0/s1

> <SMILES>
[C@@]12(C)[C@@]34[C@H](O[C@@H]1[C@@H]1OC(=O)[C@@H]([C@@H]1C(C)=C)[C@]2(O)[C@H]1O[C@@H]31)/C(=C\C)/C(=O)O4

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119351

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
1619362

> <CITATION>
-

$$$$