LMPR0104420001
  LIPID_MAPS_STRUCTURE_DATABASE

 30 34  0     0  0            999 V2000
   10.3587    8.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3587    7.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0655    7.2262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0655    9.6391    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0308    6.9675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0308    9.8977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8964    9.3980    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8964    7.4672    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2597    8.3738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5657    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8632    7.6060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8617    9.6566    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3960   10.2636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4932    9.4320    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6277    8.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6277    7.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4932    7.4332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000    6.9675    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1000    9.8977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2854   10.4096    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2914   10.5141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8849    9.6011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6622    8.6736    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   11.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7917   12.3792    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9261   11.8794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   12.3792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606   11.3797    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7571   11.6383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2920   10.5141    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  1  0  0  0  0
  3 10  2  0  0  0  0
  8 11  1  6  0  0  0
  9 11  1  6  0  0  0
  7 12  1  1  0  0  0
  7 13  1  6  0  0  0
  1 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17  2  1  0  0  0  0
  2 18  1  1  0  0  0
  1 19  1  6  0  0  0
 14 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 15  1  0  0  0  0
 15 23  1  6  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 24  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 24 29  1  1  0  0  0
 21 30  1  1  0  0  0
M  END
> <LM_ID>
LMPR0104420001

> <COMMON_NAME>
Novaxenicin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O5

> <MASS>
348.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
-

> <SYNONYMS>


> <INCHI_KEY>
PVAIAJLEMKCLCA-VQWSFFERSA-N

> <INCHI>
InChI=1S/C20H28O5/c1-10-7-14-17(23-14)20(4,21)6-5-11-12-8-15(16-19(2,3)25-16)24-18(12)22-9-13(10)11/h8,11,13-18,21H,1,5-7,9H2,2-4H3/t11-,13+,14-,15+,16-,17-,18+,20+/m1/s1

> <SMILES>
[C@@]12([H])C3=C[C@@]([H])([C@]4([H])C(C)(C)O4)O[C@]3([H])OC[C@@]1([H])C(=C)C[C@H]1O[C@H]1[C@](O)(C)CC2

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
187657

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608256

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
86539

> <CITATION>
18033582

$$$$