LMPR0104030022
  LIPID_MAPS_STRUCTURE_DATABASE

 29 31  0     0  0            999 V2000
    6.2692   -5.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592   -6.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592   -7.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2692   -7.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -7.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792   -6.2692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0493   -5.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9393   -6.2691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9393   -7.2969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0493   -7.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0492   -4.7275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1592   -5.2415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4819   -8.4713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9958   -8.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8293   -5.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9393   -4.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9392   -3.1859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2924   -2.3872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8523   -1.5253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8449   -1.7912    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8986   -2.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7607   -3.3774    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4840   -0.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1975   -7.9353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5140   -5.7698    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8166   -4.7201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4167   -3.5746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116   -7.7979    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0493   -8.8126    0.0000 O   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  2  0     0  0
  9 10  1  0     0  0
 10  3  1  0     0  0
  7 11  1  1     0  0
  2 12  1  1     0  0
  4 13  1  0     0  0
  4 14  1  0     0  0
  8 15  1  0     0  0
 11 16  1  0     0  0
 16 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21 17  1  0     0  0
 21 22  2  0     0  0
 19 23  2  0     0  0
  3 24  1  6     0  0
  6 25  1  6     0  0
 16 26  1  1     0  0
 17 27  1  6     0  0
  5 28  1  1     0  0
 10 29  2  0     0  0
M  END
> <LM_ID>
LMPR0104030022

> <COMMON_NAME>
Haterumaimide D

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H27NO4Cl2

> <MASS>
415.13

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Labdane and halimane diterpenoids [PR010403]

> <SYNONYMS>


> <INCHI_KEY>
WOZCGGONMQVWED-YUYNUPNTSA-N

> <INCHI>
InChI=1S/C20H27Cl2NO4/c1-9-5-14(25)16-19(2,3)17(22)12(21)8-20(16,4)11(9)7-13(24)10-6-15(26)23-18(10)27/h5,10-13,16-17,24H,6-8H2,1-4H3,(H,23,26,27)/t10-,11+,12-,13+,16+,17+,20-/m1/s1

> <SMILES>
C1[C@@H](Cl)[C@H](Cl)C(C)(C)[C@]2([H])C(=O)C=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>
9801980

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3159528

> <CITATION>
-

$$$$