LMPR0104050024
  LIPID_MAPS_STRUCTURE_DATABASE

 27 29  0     0  0            999 V2000
    8.5521    9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6771    8.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6771    7.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3019    7.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1768    7.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1768   10.6695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3019   10.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0519    9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0519   10.1643    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4270    7.6387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4270    8.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4270    9.6591    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1768    8.6490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3019    9.1542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5521    7.1335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0518    7.1335    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3869   11.6579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8026   10.8404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4269   10.6696    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9268    8.6489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8021    7.1334    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7636   10.5283    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5143   11.2044    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9737    9.5401    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1078    6.2748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8793    6.4262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4522    6.9062    0.0000 H   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 15  1  0  0  0  0
 10 15  1  0  0  0  0
 14 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 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
  5 16  2  0     0  0
  6 17  1  0     0  0
 18  9  1  0     0  0
  7 19  1  0     0  0
  8 20  1  0     0  0
  3 21  1  1     0  0
 18 22  1  0     0  0
 22 23  1  0     0  0
 22 24  1  1     0  0
 15 25  1  0     0  0
 15 26  1  0     0  0
 10 27  1  6     0  0
M  END
> <LM_ID>
LMPR0104050024

> <COMMON_NAME>
Dracocephalumoid D

> <SYSTEMATIC_NAME>
(3R,5R,10S,16S)-3,11,12,16-tetrahydroxy-17(15-16)-abeo-abieta-8,11,13-trien-7-one

> <FORMULA>
C20H28O6

> <MASS>
364.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Abietane diterpenoids [PR010405]

> <SYNONYMS>


> <INCHI_KEY>
LZMBNFAKNKQBQT-NNGOFWHYSA-N

> <INCHI>
InChI=1S/C20H28O6/c1-9(21)7-10-16(24)14-11(22)8-12-19(2,3)13(23)5-6-20(12,4)15(14)18(26)17(10)25/h9,12-13,21,23-26H,5-8H2,1-4H3/t9-,12+,13+,20+/m1/s1

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

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171120113

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
39296

> <CITATION>
33550196

$$$$