LMPR0104170017
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0  0  0  0  0  0  0  0999 V2000
    8.6790    7.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6858    6.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0224    8.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3506    8.0610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3438    7.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    6.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3984    6.5014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3659    7.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0258    8.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3506    8.8213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9998    8.4480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7025    6.5295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1212    6.9232    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3950    5.6681    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7025    8.0644    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2807    8.6664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6824    9.2016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7369    8.6412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0383    6.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3114    5.8763    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0051    5.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0383    7.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    5.8798    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6957    5.2122    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0190    7.3000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8968    6.1824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4214    9.1662    0.0000 O   0  0  0  0  0  0  0  0  0  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
  6 12  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  2  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  6  0  0  0
  9 17  1  0  0  0  0
 11 18  2  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  6  0  0  0
 12 21  1  1  0  0  0
 15 22  1  0  0  0  0
 20 23  1  0  0  0  0
 20 24  2  0  0  0  0
  6  8  1  0  0  0  0
 10 11  1  1  0  0  0
 10 17  1  0  0  0  0
 19 22  1  0  0  0  0
  3 25  1  1  0  0  0
  6 26  1  1  0  0  0
  1  2  1  0  0  0  0
 16 27  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104170017

> <COMMON_NAME>
Gibberellin A15

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O5

> <MASS>
348.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Gibberellins [PR010417]

> <SYNONYMS>


> <INCHI_KEY>
TZGXVFYTKTWKCU-CXXOJBQZSA-N

> <INCHI>
InChI=1S/C20H28O5/c1-11-8-20-9-12(11)4-5-13(20)19(10-21)7-3-6-18(2,17(24)25)15(19)14(20)16(22)23/h12-15,21H,1,3-10H2,2H3,(H,22,23)(H,24,25)/t12-,13+,14-,15-,18-,19-,20+/m1/s1

> <SMILES>
[C@]123[C@@H](C(=O)O)[C@@]4([H])[C@@](CO)(CCC[C@@]4(C)C(=O)O)[C@]1([H])CC[C@@H](C(=C)C2)C3

> <KEGG_ID>
C11860

> <HMDB_ID>
-

> <CHEBI_ID>
29590

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
443453

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$