LMPR0104230012
  LIPID_MAPS_STRUCTURE_DATABASE

 43 46  0     0  0            999 V2000
   12.2631   10.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2631    9.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1386    8.9133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1386   10.9359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6564    8.3530    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6821    8.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6011    8.7109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1521    9.5583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1114   10.5686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4907   11.3677    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5166   11.6392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5732   11.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0147   10.4304    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0147    9.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1386    7.9021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0676   12.1498    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0147   11.4417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9388    8.7620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7047    7.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6795    7.0780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2332    7.9229    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0377    6.1323    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.9161    6.7108    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0614   10.9155    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3872    8.9133    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1763    7.7484    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3946    9.3299    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5732   13.0253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0676   13.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5845   13.0253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1279    9.2901    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   12.4230    8.1978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1384   11.9479    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2619   12.4537    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2618   13.4657    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3856   11.9476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3867   10.9364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5106   10.4299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6339   10.9354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5111    9.4179    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7485    6.8313    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7404    6.7430    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.3290    6.0022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3 14  1  0  0  0  0
 13  4  1  0  0  0  0
  4  1  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  0  0  0  0
  3 15  1  1  0  0  0
 12 16  1  1  0  0  0
 13 17  1  1  0  0  0
 14 18  1  6  0  0  0
  5 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
  7 21  1  6  0  0  0
 20 22  2  0  0  0  0
 19 23  1  6  0  0  0
  9 24  2  0  0  0  0
  2 25  1  6  0  0  0
  6 26  1  1  0  0  0
  5 27  1  6  0  0  0
 16 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  2  0  0  0  0
  8 31  1  6     0  0
  3 32  1  6     0  0
  4 33  1  6     0  0
 33 34  1  0     0  0
 34 35  1  0     0  0
 34 36  2  0     0  0
 32 15  1  0     0  0
  1 37  1  6     0  0
 37 38  1  0     0  0
 38 39  1  0     0  0
 38 40  2  0     0  0
 26 41  1  0     0  0
 41 42  2  0     0  0
 41 43  1  0     0  0
M  END
> <LM_ID>
LMPR0104230012

> <COMMON_NAME>
Gemmacolide D

> <SYSTEMATIC_NAME>


> <FORMULA>
C28H35O13Cl

> <MASS>
614.18

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Briarane diterpenoids [PR010423]

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15060797

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://dev.lipidmaps.org/databases/lmsd/LMPR0104230012

$$$$