LMPR0104170034
  LIPID_MAPS_STRUCTURE_DATABASE

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.6401    7.8407    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2594    7.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2594    7.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542    8.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7154    8.2416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4102    7.8407    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4102    7.0479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2499    6.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1810    6.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6401    7.0479    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7154    6.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9542    6.6471    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0207    7.8407    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3348    6.6471    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0207    7.0479    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6401    6.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3371    5.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8283    5.5162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0039    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8511    8.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2816    9.1925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0278    8.6407    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7797    5.6975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2447    5.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3163    6.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4402    5.3275    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.4325    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3971    9.1312    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2468    7.0133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  1  0  0  0  0
 13  1  1  0  0  0  0
 10  1  1  0  0  0  0
 12 10  1  0  0  0  0
 14 10  1  0  0  0  0
 10 16  1  1  0  0  0
  3  4  1  0  0  0  0
  2 12  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
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 14 17  1  1  0  0  0
 21 20  2  0  0  0  0
  1 20  1  6  0  0  0
 13 22  1  1  0  0  0
 23  8  2  0  0  0  0
 12 24  1  1  0  0  0
 26 25  2  0  0  0  0
 27 25  1  0  0  0  0
 12 25  1  6  0  0  0
 28 20  1  0  0  0  0
  7 29  1  6  0  0  0
M  END
> <LM_ID>
LMPR0104170034

> <COMMON_NAME>
gibberellin A17

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H26O7

> <MASS>
378.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Gibberellins [PR010417]

> <SYNONYMS>
GA17; gibberellin 17

> <INCHI_KEY>
AUKMHZZVLPQAOX-CDNFTCFOSA-N

> <INCHI>
InChI=1S/C20H26O7/c1-10-8-18-9-19(10,27)7-4-11(18)20(16(25)26)6-3-5-17(2,15(23)24)13(20)12(18)14(21)22/h11-13,27H,1,3-9H2,2H3,(H,21,22)(H,23,24)(H,25,26)/t11-,12-,13-,17-,18+,19+,20-/m1/s1

> <SMILES>
[C@@]12(C(O)=O)[C@]([H])([C@H](C(O)=O)[C@@]34CC(=C)[C@@](O)(C3)CC[C@@]14[H])[C@@](C(O)=O)(C)CCC2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
24236

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5460657

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$