LMPR0104070002
  LIPID_MAPS_STRUCTURE_DATABASE

 27 30  0     0  0            999 V2000
    6.9285    8.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7946    8.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6605    8.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6605    9.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7946   10.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9285    9.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5266    8.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3926    8.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3926    9.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5266   10.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2586   10.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2586   11.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3926   11.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5266   11.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    9.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246    8.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6605   10.5925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2946    7.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2946    7.2264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9907   10.0925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6605    7.5925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5266    9.0925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6605   11.5925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3926   12.5925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3926   10.5925    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7946    6.3605    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2945    7.2264    0.0000 O   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  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  3  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  4  1  0  0  0  0
  9 11  1  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
 14 10  1  0  0  0  0
 11 15  1  0  0  0  0
 15 16  1  0  0  0  0
  4 17  1  1  0  0  0
  2 18  1  1  0  0  0
  2 19  1  6  0  0  0
 15 20  1  0  0  0  0
  3 21  1  6  0  0  0
 10 22  1  6  0  0  0
 14 23  2  0  0  0  0
 13 24  1  1  0  0  0
 11 25  1  1  0  0  0
  9 25  1  1  0  0  0
 18 26  1  0  0  0  0
 18 27  2  0  0  0  0
M  END
> <LM_ID>
LMPR0104070002

> <COMMON_NAME>
Pedunculatic acid B

> <SYSTEMATIC_NAME>
(4S,5alpha)-8beta,14beta-epoxy-12beta-hydroxy-11-oxototaran-19-oic acid

> <FORMULA>
C20H30O5

> <MASS>
350.21

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Totarane and nagilactone diterpenoids [PR010407]

> <SYNONYMS>


> <KEGG_ID>
-

> <HMDB_ID>
-

> <YMDB_ID>
-

> <CHEBI_ID>
-

> <CAYMAN_ID>
-

> <PLANTFA_ID>
-

> <SWISSLIPIDS_ID>
-

> <ALT_CLASSES>
-

> <METABOLOMICS_ID>
-

> <PUBCHEM_COMPOUND_ID>
102251675

> <LIPIDBANK_ID>
-

> <LIPIDAT_ID>
-

> <STATUS>
Active

> <REFS>
-

> <LIPID_MAPS_URL>
https://lipidmaps.org/databases/lmsd/LMPR0104070002

$$$$