LMPR0104170022
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0     0  0            999 V2000
   10.7623    8.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7706    7.6138    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9434    9.0340    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5893    9.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5809    8.0883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1298    7.6097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6528    7.0957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1298    8.5596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9476    9.9798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5893    9.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4040    9.5137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6487    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3162    9.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9392    8.0883    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4717    7.0029    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7632   10.4533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3319    8.9926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1302    9.4527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3319    7.1356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5317    8.5377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5317    7.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3269    6.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0745    8.1885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6345    8.1885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5339    7.6133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    9.0006    0.0000 O   0  0  0  0  0  0  0  0  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
  9 16  1  0  0  0  0
 20 26  1  1  0  0  0
 16 10  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104170022

> <COMMON_NAME>
Gibberellin A51

> <SYSTEMATIC_NAME>
3beta-hydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid

> <FORMULA>
C19H24O5

> <MASS>
332.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Gibberellins [PR010417]

> <SYNONYMS>


> <INCHI_KEY>
HHDWSDSMWJQURA-MHKXYFPYSA-N

> <INCHI>
InChI=1S/C19H24O5/c1-9-5-18-6-10(9)3-4-12(18)19-8-11(20)7-17(2,16(23)24-19)14(19)13(18)15(21)22/h10-14,20H,1,3-8H2,2H3,(H,21,22)/t10-,11-,12-,13-,14-,17-,18+,19-/m1/s1

> <SMILES>
[C@@]123CC([C@H](CC[C@]1([C@]14OC(=O)[C@](C)(C[C@@H](O)C1)[C@]4([C@@H]2C(O)=O)[H])[H])C3)=C

> <KEGG_ID>
C11865

> <HMDB_ID>
-

> <CHEBI_ID>
29599

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5281985

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$