LMPR0104170001
  LIPID_MAPS_STRUCTURE_DATABASE

 27 31  0     0  0            999 V2000
    9.0541    9.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6114    9.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0541    8.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0541   10.4375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2776    9.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6114    8.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3921   10.0043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349    8.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2776    8.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9710    9.1214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5050    9.5465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3963    8.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6074    7.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1769    9.5547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8349    6.8515    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5050    8.6473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1244    7.3065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7148    9.1542    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1810    8.6432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1769    7.4865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0623    6.4100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7026    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7325    8.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.0680    8.6473    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8064    6.8569    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6074   10.4417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0541    7.7106    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  1  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>
LMPR0104170001

> <COMMON_NAME>
Gibberellin A1

> <SYSTEMATIC_NAME>
2beta,7alpha-dihydroxy-1beta-methyl-8-methylidene-13-oxo-4a,1alpha-epoxymethano-4aalpha,4bbeta-gibbane-10beta-carboxylic acid

> <FORMULA>
C19H24O6

> <MASS>
348.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Gibberellins [PR010417]

> <SYNONYMS>


> <INCHI_KEY>
JLJLRLWOEMWYQK-OBDJNFEBSA-N

> <INCHI>
InChI=1S/C19H24O6/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/h10-13,20,24H,1,3-8H2,2H3,(H,21,22)/t10-,11+,12-,13-,16-,17+,18+,19-/m1/s1

> <SMILES>
[C@@]123CC[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>
C00859

> <HMDB_ID>
-

> <CHEBI_ID>
27717

> <ABBREVIATION>
-

> <CAYMAN_ID>
34291

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280379

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$