LMPR0104030027
  LIPID_MAPS_STRUCTURE_DATABASE

 28 31  0     0  0            999 V2000
    9.6682    2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5589    1.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5589    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6682    0.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775    0.7457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775    1.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8820    3.2946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9049    3.4021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3232    2.4625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8867    0.2314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960    0.7456    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960    1.7742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8867    2.2885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7775    2.8027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1053    2.2885    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.0442   -0.3585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3214   -0.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4192    4.2929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0009    5.2324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7652    5.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6560    5.4065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4420    4.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6577    6.9436    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1302    3.6361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9143    4.2837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7642    0.1068    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6682   -0.7971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4911    1.3396    0.0000 C   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
  1  7  1  1     0  0
  7  8  1  0     0  0
  8  9  1  1     0  0
  9  2  1  0     0  0
  5 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13  6  1  0     0  0
  6 14  1  1     0  0
 12 15  1  6     0  0
 10 16  1  0     0  0
 10 17  1  0     0  0
  8 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 22  1  0     0  0
 22 18  1  0     0  0
 20 23  2  0     0  0
 22 24  2  0     0  0
 18 25  1  6     0  0
  5 26  1  6     0  0
  4 27  2  0     0  0
  2 28  1  6     0  0
M  END
> <LM_ID>
LMPR0104030027

> <COMMON_NAME>
Haterumaimide I

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28NO4Cl

> <MASS>
381.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Labdane and halimane diterpenoids [PR010403]

> <SYNONYMS>


> <INCHI_KEY>
UJSKCGOTHYDOCV-LCIZUERQSA-N

> <INCHI>
InChI=1S/C20H28ClNO4/c1-18(2)7-10(21)8-19(3)14-6-13(11-5-15(24)22-17(11)25)26-20(14,4)9-12(23)16(18)19/h10-11,13-14,16H,5-9H2,1-4H3,(H,22,24,25)/t10-,11+,13-,14+,16-,19+,20-/m0/s1

> <SMILES>
[C@H]12C[C@@H]([C@]3([H])C(=O)NC(=O)C3)O[C@@]1(C)CC(=O)[C@@]1([H])C(C)(C)C[C@H](Cl)C[C@@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11783867

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3159528

> <CITATION>
11575950

$$$$