LMPR0104030006
  LIPID_MAPS_STRUCTURE_DATABASE

 30 31  0     0  0            999 V2000
    6.9276    9.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7945    7.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6615    7.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5283    7.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4270    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9276    7.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4281    6.3606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7945    8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7945    9.7303    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6615    9.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6615   10.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5284   10.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2624   10.7315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6615    8.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1294   10.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3953   10.2309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3953    9.2298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5283    8.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5389    9.6962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9964   10.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7302   10.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8634    9.2298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5973    9.2298    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.8634   10.2309    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   13.6042   11.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4643   10.7315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.5973   10.2309    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
   15.3382   11.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  3  8  1  0  0  0  0
  8  4  1  0  0  0  0
 12 10  1  0  0  0  0
 10  4  1  0  0  0  0
  4  5  2  0  0  0  0
 12 20  1  0  0  0  0
  5  6  1  0  0  0  0
  6 20  1  0  0  0  0
  8  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 11  1  6  0  0  0
 12 16  1  1  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 18  1  0  0  0  0
 18 15  2  0  0  0  0
 15 17  1  0  0  0  0
 17 22  1  0  0  0  0
 18 19  1  0  0  0  0
 20 21  1  1  0  0  0
 22 26  1  0  0  0  0
 26 23  1  0  0  0  0
 23 29  1  0  0  0  0
 26 24  2  0  0  0  0
 29 25  2  0  0  0  0
 26 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104030006

> <COMMON_NAME>
tuberculosinyl diphosphate

> <SYSTEMATIC_NAME>
(2E)-3-methyl-5-[(1R,2S,8aS)-1,2,5,5-tetramethyl-1,2,3,5,6,7,8,8a-octahydronaphthalen-1-yl]pent-2-en-1-yl trihydrogen diphosphate

> <FORMULA>
C20H36O7P2

> <MASS>
450.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Labdane and halimane diterpenoids [PR010403]

> <SYNONYMS>
halima-5(6),13-dien-15-ol; tuberculosinol diphosphate

> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
50388

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
SLM:000390227

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
24883451

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPR0104030006

$$$$