LMPR0104030015
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    6.1000   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9660   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9660   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1000   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2340   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2340   -6.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8321   -5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6981   -6.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6981   -7.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8321   -7.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8320   -4.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5641   -7.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9660   -5.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3340   -8.2428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8071   -8.3071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5641   -5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6981   -4.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6980   -3.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5641   -4.5999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0687   -2.3228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6134   -1.4841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5793   -1.7429    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6316   -2.7416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4703   -3.2862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2550   -0.5505    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1768   -3.3128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0032   -7.7212    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  1     0  0
  9 12  1  1     0  0
  2 13  1  1     0  0
  4 14  1  0     0  0
  4 15  1  0     0  0
  8 16  2  0     0  0
 11 17  1  0     0  0
 17 18  1  0     0  0
 17 19  1  1     0  0
 18 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 23  1  0     0  0
 23 18  1  0     0  0
 23 24  2  0     0  0
 21 25  2  0     0  0
 18 26  1  6     0  0
  3 27  1  6     0  0
M  END
> <LM_ID>
LMPR0104030015

> <COMMON_NAME>
Haterumaimide Q

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H31NO4

> <MASS>
349.23

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Labdane and halimane diterpenoids [PR010403]

> <SYNONYMS>


> <INCHI_KEY>
PPQGMYUYEYHPEL-ZVZFHZCBSA-N

> <INCHI>
InChI=1S/C20H31NO4/c1-11-13(9-15(23)12-8-17(24)21-18(12)25)20(4)7-5-6-19(2,3)16(20)10-14(11)22/h12-16,22-23H,1,5-10H2,2-4H3,(H,21,24,25)/t12-,13+,14+,15+,16+,20-/m1/s1

> <SMILES>
C1CCC(C)(C)[C@]2([H])C[C@H](O)C(=C)[C@H](C[C@H](O)[C@]3([H])C(=O)NC(=O)C3)[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
21778724

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3159528

> <CITATION>
16854586

$$$$