LMPR0104170020
  LIPID_MAPS_STRUCTURE_DATABASE

 25 29  0     0  0            999 V2000
    9.2824    8.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2907    7.6094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4658    9.0260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1073    9.0218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0990    8.0827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6493    7.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1707    7.0928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6493    8.5527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4700    9.9691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1073    9.9650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9147    9.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1666    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8245    9.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4616    8.0827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9955    7.0002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2833   10.4414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8535    8.9847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6496    9.4436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8535    7.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8486    6.2156    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5969    8.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1604    8.1826    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.0493    7.6089    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9 16  1  0  0  0  0
 11 13  2  0  0  0  0
  6  8  1  0  0  0  0
 10 11  1  1  0  0  0
  3 14  1  1  0  0  0
  1  2  1  0  0  0  0
  6 15  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
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  6  0  0  0
  6 19  1  0  0  0  0
 17 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 21  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  6  0  0  0
 23 18  1  0  0  0  0
 23 24  2  0  0  0  0
  7 12  2  0  0  0  0
  7 25  1  0  0  0  0
 16 10  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104170020

> <COMMON_NAME>
Gibberellin A9

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

> <FORMULA>
C19H24O4

> <MASS>
316.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Gibberellins [PR010417]

> <SYNONYMS>


> <INCHI_KEY>
MHVYWTXXZIFXDT-YGNOGLJPSA-N

> <INCHI>
InChI=1S/C19H24O4/c1-10-8-18-9-11(10)4-5-12(18)19-7-3-6-17(2,16(22)23-19)14(19)13(18)15(20)21/h11-14H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,14-,17-,18+,19-/m1/s1

> <SMILES>
[C@@]123CC([C@H](CC[C@]1([C@]14OC(=O)[C@](C)(CCC1)[C@]4([C@@H]2C(O)=O)[H])[H])C3)=C

> <KEGG_ID>
C11863

> <HMDB_ID>
-

> <CHEBI_ID>
29605

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281984

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$