LMPR0104170015
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.8934    7.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9003    6.7198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2308    7.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5712    7.8750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5643    7.1071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5682    6.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6194    6.3011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5682    7.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2342    8.6457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5712    8.6423    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2263    8.2656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8987    6.3294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3489    6.7267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6160    5.4601    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8987    7.8785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4823    8.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8969    9.0261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9702    8.4606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2284    6.7165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5040    5.6702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2041    5.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2284    7.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7401    5.6737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8918    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2274    7.1071    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1040    5.9792    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.3326    0.0000 O   0  0  0  0  0  0  0  0  0  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
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  6  0  0  0
  9 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  6  0  0  0
 12 21  1  1  0  0  0
 15 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
  6  8  1  0  0  0  0
 10 11  1  1  0  0  0
 10 17  1  0  0  0  0
 19 22  1  0  0  0  0
  3 25  1  1  0  0  0
  6 26  1  1  0  0  0
  1  2  1  0  0  0  0
 19 27  1  1  0  0  0
M  END
> <LM_ID>
LMPR0104170015

> <COMMON_NAME>
Gibberellin A14

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O5

> <MASS>
348.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Gibberellins [PR010417]

> <SYNONYMS>


> <INCHI_KEY>
NJEWNTGSXKRWKA-MJPABCAUSA-N

> <INCHI>
InChI=1S/C20H28O5/c1-10-8-20-9-11(10)4-5-12(20)18(2)7-6-13(21)19(3,17(24)25)15(18)14(20)16(22)23/h11-15,21H,1,4-9H2,2-3H3,(H,22,23)(H,24,25)/t11-,12+,13+,14-,15+,18+,19-,20+/m1/s1

> <SMILES>
[C@]123[C@@H](C(=O)O)[C@@]4([H])[C@@](C)(CC[C@H](O)[C@@]4(C)C(=O)O)[C@]1([H])CC[C@@H](C(=C)C2)C3

> <KEGG_ID>
C11858

> <HMDB_ID>
-

> <CHEBI_ID>
29588

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443451

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$