LMPR0104050021
  LIPID_MAPS_STRUCTURE_DATABASE

 26 29  0  0  0  0  0  0  0  0999 V2000
    8.4648    9.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987    8.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5987    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    7.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627   10.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967   10.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288    9.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9288   10.0605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    7.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    8.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    9.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3307    6.5607    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0627    8.5607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1967    9.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4648    6.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4648    7.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9287    7.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2706   11.5388    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2651   11.6433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6719   10.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7651   12.5094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    7.0607    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7327    8.0607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3306   10.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.7948    8.5606    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 11  1  1  0  0  0  0
  2  3  1  0  0  0  0
  3 17  1  0  0  0  0
 10 17  1  0  0  0  0
 15 11  1  0  0  0  0
 11 10  1  0  0  0  0
 10  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5 14  1  0  0  0  0
 14  8  1  0  0  0  0
 14 15  2  0  0  0  0
 15  7  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  8  9  2  0  0  0  0
 10 13  1  6  0  0  0
 11 12  1  1  0  0  0
 17 16  2  0  0  0  0
  5 18  2  0     0  0
  6 19  1  0     0  0
 19 20  1  0     0  0
 20 21  1  0     0  0
 21  9  1  0     0  0
 20 22  1  1     0  0
  3 23  1  6     0  0
  3 24  1  1     0  0
  7 25  1  0     0  0
  8 26  1  0     0  0
M  END
> <LM_ID>
LMPR0104050021

> <COMMON_NAME>
Dracocephalumoid A

> <SYSTEMATIC_NAME>
(3R,5R,10S,16S)-12,16-epoxy-3,11,14-trihydroxy-17(15-16),18(4-3)-diabeo-abieta-4(19),8,11,13-tetraen-7-one

> <FORMULA>
C20H24O5

> <MASS>
344.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Abietane diterpenoids [PR010405]

> <SYNONYMS>


> <INCHI_KEY>
LHBNSQXRORKARD-AZSZCMADSA-N

> <INCHI>
InChI=1S/C20H24O5/c1-9-7-11-16(22)14-13(21)8-12-10(2)20(4,24)6-5-19(12,3)15(14)17(23)18(11)25-9/h9,12,22-24H,2,5-8H2,1,3-4H3/t9-,12-,19-,20+/m0/s1

> <SMILES>
C1[C@@]2(C)[C@@]([H])(CC(=O)C3=C2C(O)=C2O[C@@H](C)CC2=C3O)C(=C)[C@](C)(O)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120110

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
39296

> <CITATION>
33550196

$$$$