LMPR0104170035
  LIPID_MAPS_STRUCTURE_DATABASE

 30 33  0  0  0  0  0  0  0  0999 V2000
    7.6555    7.8511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2693    7.0552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2693    7.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9668    8.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7392    8.2536    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4367    7.8511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4367    7.0552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.2758    6.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2026    6.2503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6555    7.0552    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.7392    6.6527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9668    6.6527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0417    7.8511    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.3530    6.6527    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0417    7.0552    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.6555    6.1626    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3553    5.8319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8484    5.5173    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0208    5.2475    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8673    8.6336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2956    9.2084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0488    8.6543    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8077    5.6993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2586    5.7228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3263    6.1393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4508    5.3279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6083    5.9526    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4155    9.1468    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2767    7.0205    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    6.7000    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
  2 30  1  1  0  0  0
M  END
> <LM_ID>
LMPR0104170035

> <COMMON_NAME>
gibberellin A28

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H26O8

> <MASS>
394.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Gibberellins [PR010417]

> <SYNONYMS>
GA28; gibberellin 28

> <INCHI_KEY>
YPZCOEDTKIYBEB-ZVBXRXONSA-N

> <INCHI>
InChI=1S/C20H26O8/c1-9-7-18-8-19(9,28)5-3-10(18)20(16(26)27)6-4-11(21)17(2,15(24)25)13(20)12(18)14(22)23/h10-13,21,28H,1,3-8H2,2H3,(H,22,23)(H,24,25)(H,26,27)/t10-,11+,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)[C@@H](O)CC2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
24241

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5460656

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$