LMPR0104030028
  LIPID_MAPS_STRUCTURE_DATABASE

 28 30  0     0  0            999 V2000
    6.2696   -5.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1597   -6.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1597   -7.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2696   -7.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3795   -7.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3795   -6.2696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0498   -5.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9399   -6.2695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9399   -7.2974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0498   -7.8112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0497   -4.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1597   -5.2418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4823   -8.4718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9962   -8.5380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8299   -5.7555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9399   -4.2139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9398   -3.1861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2929   -2.3874    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8529   -1.5254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8455   -1.7913    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8992   -2.8178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7614   -3.3776    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845   -0.5658    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1980   -7.9358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5143   -5.7702    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.8172   -4.7204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4172   -3.5748    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8059   -7.7974    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  1  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  2  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
  9 28  1  1     0  0
M  END
> <LM_ID>
LMPR0104030028

> <COMMON_NAME>
Chlorolissoclimide

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H30NO4Cl

> <MASS>
383.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Labdane and halimane diterpenoids [PR010403]

> <SYNONYMS>


> <INCHI_KEY>
LCBZIVZSFYGPBC-LWHFJPTFSA-N

> <INCHI>
InChI=1S/C20H30ClNO4/c1-10-13(6-15(24)12-5-17(25)22-18(12)26)20(4)9-11(21)8-19(2,3)16(20)7-14(10)23/h11-16,23-24H,1,5-9H2,2-4H3,(H,22,25,26)/t11-,12+,13-,14-,15-,16-,20+/m0/s1

> <SMILES>
C1[C@@H](Cl)CC(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>
127675

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
3159528

> <CITATION>
1337432

$$$$