LMPR0104170002
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0     0  0            999 V2000
    9.0783    9.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6463    9.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0783    8.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0783   10.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2923    9.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6463    8.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4324    9.8293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8603    8.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2923    8.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8098    8.7189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5144    9.3678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4366    8.0078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6421    7.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2184    9.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8603    6.8016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5144    8.4652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2880    7.1092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4710    8.8228    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2226    8.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2184    7.2924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0867    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6379    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    8.0160    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1210    8.4652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8547    6.6560    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6421   10.2702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0783    7.5668    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  6  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  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  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  1  0  0  0
  7 14  1  0  0  0  0
  8 15  1  1  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  2  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  2  0  0  0  0
 16 23  1  1  0  0  0
 19 24  1  6  0  0  0
 20 25  2  0  0  0  0
  6  8  1  0  0  0  0
  9 10  1  6  0  0  0
 11 16  1  0  0  0  0
 14 19  1  0  0  0  0
 19 20  1  1  0  0  0
  2 26  1  1  0  0  0
  3 27  1  1  0  0  0
M  END
> <LM_ID>
LMPR0104170002

> <COMMON_NAME>
Gibberellin A3

> <SYSTEMATIC_NAME>
(1alpha,2beta,4aalpha,4bbeta,10beta)-2,4a,7-Trihydroxy-1-methyl-8-methylenegibb-3-ene-1,10-dicarboxylic acid 1,4a-lactone

> <FORMULA>
C19H22O6

> <MASS>
346.14

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Gibberellins [PR010417]

> <SYNONYMS>
Gibberellic acid

> <INCHI_KEY>
IXORZMNAPKEEDV-OBDJNFEBSA-N

> <INCHI>
InChI=1S/C19H22O6/c1-9-7-17-8-18(9,24)5-3-10(17)19-6-4-11(20)16(2,15(23)25-19)13(19)12(17)14(21)22/h4,6,10-13,20,24H,1,3,5,7-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1

> <SMILES>
[C@@]123C=C[C@H](O)[C@](C(=O)O1)(C)[C@@]2([H])[C@@H]([C@]12CC([C@@](CC[C@@]31[H])(O)C2)=C)C(=O)O

> <KEGG_ID>
C01699

> <HMDB_ID>
HMDB0003559

> <CHEBI_ID>
28833

> <ABBREVIATION>
-

> <CAYMAN_ID>
29322

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
6466

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$