LMPR0104480003
  LIPID_MAPS_STRUCTURE_DATABASE

 25 26  0  0  0  0  0  0  0  0999 V2000
    6.2689   10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    9.5375    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9833    9.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6978    9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978   10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833   10.7750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4123    9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268    9.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1268   10.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4123   10.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    8.3000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2689    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    6.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    5.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    9.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833   11.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    9.9500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6978    7.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8412    8.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5557    9.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5544    9.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9833    5.0000    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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10  5  1  0  0  0  0
  3 11  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  8 17  1  0  0  0  0
  6 18  1  1  0  0  0
  3 19  1  6  0  0  0
 12 20  1  0  0  0  0
 20 13  1  0  0  0  0
 11 21  1  1  0  0  0
 17 22  2  0  0  0  0
 17 23  1  0  0  0  0
  2 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <LM_ID>
LMPR0104480003

> <COMMON_NAME>
(-)-8,16-Dihydroxy-19-serrulatanoic acid

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H30O4

> <MASS>
334.21

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Serrulatane and biflorane diterpenoids [PR010448]

> <SYNONYMS>


> <INCHI_KEY>
MZFHFVCNGLTFGX-ONGAXQOZSA-N

> <INCHI>
InChI=1S/C20H30O4/c1-12(6-5-9-20(3,4)24)18-16-11-14(19(22)23)7-8-15(16)13(2)10-17(18)21/h7-8,11-13,17-18,21,24H,5-6,9-10H2,1-4H3,(H,22,23)/t12-,13+,17?,18+/m0/s1

> <SMILES>
C1[C@@H](C)C2C=CC(C(O)=O)=CC=2[C@@]([H])([C@@H](C)CCCC(O)(C)C)C1O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
42608264

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$