LMPR0104170028
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0     0  0            999 V2000
    9.2846    8.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2929    7.9083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4663    9.3293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1112    9.3251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1029    8.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6529    7.9043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1744    7.3938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6529    8.8529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1112   10.2697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9205    9.8057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1703    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8317   10.0505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4622    8.3848    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9978    7.3016    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2855   10.7441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8553    9.2881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6533    9.7452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8553    7.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.8311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.9037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8504    6.5150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5997    8.4843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1609    8.4843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0545    7.9079    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4588   10.3232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5735   11.0849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  1  0  0  0
  9 15  1  0  0  0  0
  3 13  1  1  0  0  0
  1  2  1  0  0  0  0
  6 14  1  1  0  0  0
  1  3  1  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
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  6  0  0  0
  6 18  1  0  0  0  0
 16 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 20  2  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  6  0  0  0
 22 17  1  0  0  0  0
 22 23  2  0  0  0  0
  7 11  2  0  0  0  0
  7 24  1  0  0  0  0
 10 12  2  0  0  0  0
  3 25  1  0  0  0  0
 25 15  1  0  0  0  0
  9 26  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104170028

> <COMMON_NAME>
Gibberellin A5

> <SYSTEMATIC_NAME>
7alpha-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibb-3-ene-10beta-carboxylic acid

> <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>
ZOWHLBOPCIHIHW-KQBHUUJHSA-N

> <INCHI>
InChI=1S/C19H22O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h3,5,11-13,23H,1,4,6-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1

> <SMILES>
[C@@]123CC(=C)[C@@](O)(C1)CC[C@]2([C@]12OC(=O)[C@](C)(C=CC1)[C@]2([C@@H]3C(O)=O)[H])[H]

> <KEGG_ID>
C11871

> <HMDB_ID>
-

> <CHEBI_ID>
29598

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281988

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$