LMPR0104170011
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.7301    7.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7371    6.7321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0628    7.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4127    7.8954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4058    7.1220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956    6.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4613    6.3103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3956    7.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0663    8.6717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4127    8.6682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0725    8.2888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7213    6.3389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1960    6.7390    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4579    5.4634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7213    7.8990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7336    9.0547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8217    8.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0462    6.7287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3238    5.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0288    5.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0462    7.5091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.6785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7143    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0594    7.1220    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9351    5.9861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3674    7.9046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  1  0  0  0
  2  6  1  0  0  0  0
  2  7  1  1  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  2  0  0  0  0
  9 16  1  0  0  0  0
 11 17  2  0  0  0  0
 12 18  1  0  0  0  0
 12 19  1  6  0  0  0
 12 20  1  1  0  0  0
 15 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  2  0  0  0  0
  6  8  1  0  0  0  0
 10 11  1  1  0  0  0
 10 16  1  0  0  0  0
 18 21  1  0  0  0  0
  3 24  1  1  0  0  0
  6 25  1  1  0  0  0
  1  2  1  0  0  0  0
 21 26  2  0  0  0  0
  1  3  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104170011

> <COMMON_NAME>
Gibberellin A51-catabolite

> <SYSTEMATIC_NAME>


> <FORMULA>
C19H22O5

> <MASS>
330.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C20 isoprenoids (diterpenes) [PR0104]

> <CLASS_LEVEL4>
Gibberellins [PR010417]

> <SYNONYMS>


> <INCHI_KEY>
JBJGOHHQQSPYTO-BLMVKCSQSA-N

> <INCHI>
InChI=1S/C19H22O5/c1-9-6-19-7-10(9)3-4-13(19)12-5-11(20)8-18(2,17(23)24)14(12)15(19)16(21)22/h5,10,13-15H,1,3-4,6-8H2,2H3,(H,21,22)(H,23,24)/t10-,13+,14-,15-,18-,19+/m1/s1

> <SMILES>
[C@@]123[C@@]([H])(CC[C@@H](C(=C)C1)C2)C1[C@@]([H])([C@](C)(C(=O)O)CC(=O)C=1)[C@@H]3C(=O)O

> <KEGG_ID>
C11854

> <HMDB_ID>
-

> <CHEBI_ID>
29600

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443447

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$