LMPR0103090003
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0  0  0  0  0  0  0  0999 V2000
    8.9712    7.5639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7867    8.0453    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4900    7.6428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7867    8.8546    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5236    7.2841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0404    7.9034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7139    7.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7536    6.5107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8801    8.6915    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4465    6.5434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2245    7.9510    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0898    6.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5089    6.2462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1655    9.0601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4255    7.9028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0685    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4305    8.7291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9846    9.8473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    8.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    7.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8591    9.1980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1039   10.0147    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5066   10.4512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006    6.8662    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1354    7.9861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1987    9.7547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2001    8.0563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4931    6.8210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  4  2  0  0  0  0
  1  2  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  1  0  0  0  0
 11 15  2  0  0  0  0
 12 16  2  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 19  1  0  0  0  0
 15 20  1  0  0  0  0
 17 21  1  0  0  0  0
 18 22  1  0  0  0  0
 18 23  2  0  0  0  0
 10 12  1  0  0  0  0
 21 19  1  1  0  0  0
 21 22  1  0  0  0  0
  5 24  1  6  0  0  0
  7 25  1  1  0  0  0
 21 26  1  6  0  0  0
  6  1  1  6  0  0  0
  3 27  2  0  0  0  0
  2  3  1  0  0  0  0
  3 28  1  0  0  0  0
M  END
> <LM_ID>
LMPR0103090003

> <COMMON_NAME>
Deoxyelephantopin

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H20O6

> <MASS>
344.13

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Germacrane sesquiterpenoids [PR010309]

> <SYNONYMS>


> <INCHI_KEY>
JMUOPRSXUVOHFE-GZZMZBIISA-N

> <INCHI>
InChI=1S/C19H20O6/c1-9(2)17(20)24-15-8-12-7-13(23-19(12)22)5-10(3)6-14-16(15)11(4)18(21)25-14/h6-7,13-16H,1,4-5,8H2,2-3H3/b10-6+/t13-,14-,15+,16+/m1/s1

> <SMILES>
O([C@H]1CC2C(=O)O[C@]([H])(CC(C)=C[C@@]3([H])OC(=O)C(=C)[C@]13[H])C=2)C(C(C)=C)=O

> <KEGG_ID>
C09388

> <HMDB_ID>
-

> <CHEBI_ID>
4409

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6325056

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$