LMPR0104170025
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0     0  0            999 V2000
   10.7719    8.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7803    7.6128    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9512    9.0378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6009    9.0335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5925    8.0906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1357    7.6087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6642    7.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1357    8.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6009    9.9808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4125    9.5155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6602    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3263    9.7610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9471    8.0906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4815    7.0042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7729   10.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3357    8.9964    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1361    9.4548    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3357    7.1364    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5387    8.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5387    7.6081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3307    6.2155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0793    8.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6422    8.1904    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5469    7.6123    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7377    9.0044    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9437   10.0346    0.0000 C   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  1  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
 20 25  1  1  0  0  0
 10 12  2  0  0  0  0
 19 26  1  1  0  0  0
  3 27  1  0  0  0  0
 27 15  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104170025

> <COMMON_NAME>
Gibberellin A34

> <SYSTEMATIC_NAME>
2beta,3beta-dihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid

> <FORMULA>
C19H24O6

> <MASS>
348.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Gibberellins [PR010417]

> <SYNONYMS>


> <INCHI_KEY>
IGZIQAJJXGRAJF-TXZPEUJSSA-N

> <INCHI>
InChI=1S/C19H24O6/c1-8-5-18-6-9(8)3-4-11(18)19-7-10(20)14(21)17(2,16(24)25-19)13(19)12(18)15(22)23/h9-14,20-21H,1,3-7H2,2H3,(H,22,23)/t9-,10+,11-,12-,13-,14+,17+,18+,19-/m1/s1

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

> <KEGG_ID>
C11868

> <HMDB_ID>
-

> <CHEBI_ID>
29593

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281987

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$