LMPR0104170021
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0     0  0            999 V2000
   10.7671    8.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7753    7.6136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9482    9.0339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5940    9.0296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5856    8.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1347    7.6095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6575    7.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1347    8.5593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9524    9.9794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5940    9.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4085    9.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6534    6.0606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3208    9.7547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9440    8.0882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4767    7.0027    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7681   10.4529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368    8.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1351    9.4524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3368    7.1354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5369    8.5374    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5369    7.6089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3318    6.2160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0796    8.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6394    8.1883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5385    7.6131    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7326    7.1491    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
 21 26  1  1  0  0  0
 16 10  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104170021

> <COMMON_NAME>
Gibberellin A4

> <SYSTEMATIC_NAME>
2beta,4a-dihydroxy-1-methyl-8-methylene-4aalpha,4bbeta-gibbane-1alpha,10beta-dicarboxylic acid, 1,4a-lactone

> <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>
RSQSQJNRHICNNH-NFMPGMCNSA-N

> <INCHI>
InChI=1S/C19H24O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)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@@H](O)CC1)[C@]4([C@@H]2C(O)=O)[H])[H])C3)=C

> <KEGG_ID>
C11864

> <HMDB_ID>
-

> <CHEBI_ID>
32902

> <ABBREVIATION>
-

> <CAYMAN_ID>
31400

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
92109

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$