LMPR0104170004
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0     0  0            999 V2000
    9.2900    8.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2900    9.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4852    7.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1033    7.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2859    7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6713    9.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0949    9.6149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6713    8.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4811    6.8182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9215    8.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9172    7.2875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8622    9.6023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6671   10.0634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9172    9.1457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8622    7.7316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    9.1416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.2060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6332    6.5728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2730    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6810    6.3606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8572    6.8054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6043    8.7917    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1705    8.7917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2830   10.1462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6658    7.2703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8606    8.2053    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  1  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  6  0  0  0
  7 14  1  0  0  0  0
  8 15  1  0  0  0  0
 12 16  1  0  0  0  0
 15 17  1  0  0  0  0
  6  8  1  0  0  0  0
 10 11  1  1  0  0  0
 10 14  1  0  0  0  0
 16 17  1  0  0  0  0
 11 18  2  0  0  0  0
  1  2  1  0  0  0  0
  9 19  1  0  0  0  0
  1  3  1  0  0  0  0
  9 20  2  0  0  0  0
  1  4  1  0  0  0  0
 15 21  1  0  0  0  0
  1  5  1  1  0  0  0
 15 22  1  6  0  0  0
 22 13  1  0  0  0  0
  2  6  1  0  0  0  0
 22 23  2  0  0  0  0
  2 24  1  1  0  0  0
  2  7  1  0  0  0  0
  8 25  1  1  0  0  0
 10 26  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104170004

> <COMMON_NAME>
Gibberellin A20

> <SYSTEMATIC_NAME>
7alpha-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>
OXFPYCSNYOFUCH-KQBHUUJHSA-N

> <INCHI>
InChI=1S/C19H24O5/c1-10-8-17-9-18(10,23)7-4-11(17)19-6-3-5-16(2,15(22)24-19)13(19)12(17)14(20)21/h11-13,23H,1,3-9H2,2H3,(H,20,21)/t11-,12-,13-,16-,17+,18+,19-/m1/s1

> <SMILES>
[C@@]123CC(=C)[C@](O)(CC[C@@]1([H])[C@]14[C@@]([H])([C@@](C(=O)O1)(C)CCC4)[C@@H]2C(=O)O)C3

> <KEGG_ID>
C02035

> <HMDB_ID>
-

> <CHEBI_ID>
27742

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
5280481

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$