LMPR0104050023
  LIPID_MAPS_STRUCTURE_DATABASE

 26 28  0     0  0            999 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
   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    6.0606    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
   12.6719   10.7297    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
    6.7326    7.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6230   10.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3661   11.0900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8310    9.4427    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2217   11.8479    0.0000 C   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 16  2  0  0  0  0
 10 16  1  0  0  0  0
 14 11  1  0  0  0  0
 11 10  1  0  0  0  0
 10  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5 13  1  0  0  0  0
 13  8  1  0  0  0  0
 13 14  2  0  0  0  0
 14  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
 11 12  1  1  0  0  0
 16 15  1  0  0  0  0
  5 17  2  0     0  0
  6 18  1  0     0  0
 19  9  1  0     0  0
  7 20  1  0     0  0
  8 21  1  0     0  0
  3 22  1  0     0  0
 19 23  1  0     0  0
 23 24  1  0     0  0
 23 25  1  6     0  0
 18 26  1  0     0  0
M  END
> <LM_ID>
LMPR0104050023

> <COMMON_NAME>
Dracocephalumoid C

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

> <FORMULA>
C21H26O5

> <MASS>
358.18

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Abietane diterpenoids [PR010405]

> <SYNONYMS>


> <INCHI_KEY>
ZLPQILOYTRHDCY-MQJDWESPSA-N

> <INCHI>
InChI=1S/C21H26O5/c1-10-6-7-21(4)14(12(10)3)9-15(23)16-17(21)19(25)20(26-5)13(18(16)24)8-11(2)22/h9,11,22,24-25H,6-8H2,1-5H3/t11-,21-/m0/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120112

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
39296

> <CITATION>
33550196

$$$$