LMPR0104170036
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0     0  0            999 V2000
    8.4101    7.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5815    8.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5815    9.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4101    9.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7028    9.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5312    9.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5312    8.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3400    7.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0654    7.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2279    9.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7028    7.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2279    8.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8742    9.2485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0564    7.8251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8742    8.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2279    7.2431    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4130    7.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0590    6.8503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9047    6.3653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2161    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9160    6.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8827   10.1560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2301   10.1839    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1530    8.6426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8215    8.6983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    9.6547    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4358    8.4662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 13 10  1  0  0  0  0
 12 10  1  0  0  0  0
  1 12  1  0  0  0  0
 14 12  1  0  0  0  0
 12 16  1  1  0  0  0
  3  4  1  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  0  0  0  0
  5 13  1  0  0  0  0
 15 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 11  1  6  0  0  0
 15  9  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7 11  1  6  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  1 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 14 18  1  1  0  0  0
 21  8  2  0  0  0  0
 13 22  1  1  0  0  0
 10 23  1  6  0  0  0
  1 24  1  6  0  0  0
 25 24  2  0  0  0  0
 24 23  1  0  0  0  0
  4 10  1  0  0  0  0
  3 26  1  1  0  0  0
  7 27  1  6  0  0  0
M  END
> <LM_ID>
LMPR0104170036

> <COMMON_NAME>
gibberellin A29

> <SYSTEMATIC_NAME>
3beta,7alpha-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>
GA29; Gibberellin A29

> <INCHI_KEY>
BKBYHSYZKIAJDA-WWSAFQOPSA-N

> <INCHI>
InChI=1S/C19H24O6/c1-9-5-17-8-18(9,24)4-3-11(17)19-7-10(20)6-16(2,15(23)25-19)13(19)12(17)14(21)22/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,16-,17+,18+,19-/m1/s1

> <SMILES>
[C@]12(C(O[C@@]3(C[C@H](O)C1)[C@]2([H])[C@H](C(O)=O)[C@@]12CC(=C)[C@@](O)(C1)CC[C@@]32[H])=O)C

> <KEGG_ID>
C06096

> <HMDB_ID>
-

> <CHEBI_ID>
28040

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
14605548

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$