LMPR0104050017
  LIPID_MAPS_STRUCTURE_DATABASE

 26 30  0     0  0            999 V2000
    8.3887    8.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3933    9.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5273    7.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2548    7.7240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2640    9.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5273    9.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3841   10.2304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6566    8.2280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8614    6.9662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7747    6.7662    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1208    8.2188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1254    9.2178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2731   10.7344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6566    9.2270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0006    9.7172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1436   11.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0098   10.7208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8667   11.2294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8620   12.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7235   10.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3841    7.2291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9846    7.7148    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2002    6.2832    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5766   10.0221    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8711   10.4335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2523    8.5560    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  1  0     0  0
  2  7  1  1     0  0
  3  8  1  0     0  0
  3  9  1  6     0  0
  3 10  1  1     0  0
  4 11  1  0     0  0
  5 12  1  0     0  0
  5 13  1  0     0  0
  6 14  1  0     0  0
 12 15  2  0     0  0
 13 16  1  0     0  0
 15 17  1  0     0  0
 17 18  1  0     0  0
 18 19  1  0     0  0
 18 20  1  0     0  0
  8 14  1  0     0  0
 11 12  1  0     0  0
 16 17  1  0     0  0
  1 21  1  6     0  0
 11 22  1  6     0  0
  9 23  2  0     0  0
 17 24  1  1     0  0
  5 25  1  1     0  0
 25 24  1  0     0  0
  6 26  1  6     0  0
  9 26  1  0     0  0
M  END
> <LM_ID>
LMPR0104050017

> <COMMON_NAME>
Lophachinin A

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O5

> <MASS>
348.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Abietane diterpenoids [PR010405]

> <SYNONYMS>


> <INCHI_KEY>
BTGIXAFEEBRKKR-IVJAHPGJSA-N

> <INCHI>
InChI=1S/C20H28O5/c1-11(2)19-7-8-20(25-24-19)12(10-19)13(21)9-14-17(3)6-5-15(18(14,20)4)23-16(17)22/h10-11,13-15,21H,5-9H2,1-4H3/t13-,14+,15+,17-,18-,19-,20+/m1/s1

> <SMILES>
[C@@]12([H])C[C@@H](O)C3=C[C@@]4(OO[C@]3(CC4)[C@@]1(C)[C@H]1OC(=O)[C@]2(C)CC1)C(C)C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120467

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
980636

> <CITATION>
32763363

$$$$