LMPR0104130009
  LIPID_MAPS_STRUCTURE_DATABASE

 35 39  0     0  0            999 V2000
    6.9116    9.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    8.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    7.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6137    7.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4647    7.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625    8.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1356   10.7007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3794    8.8762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3451    9.7184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625    7.5347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7625    6.7770    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4647    8.5173    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6691    9.8154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1155   10.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4672    9.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6137    9.0086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9887    9.3259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9116    7.0433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0606    6.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9116    6.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6407    9.9617    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6137    6.0433    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3308    7.0347    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9117   10.0086    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0457   10.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0457   11.5086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1796   10.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1124    8.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6155   11.4933    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9366   10.8751    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4265   11.7469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9164   12.6071    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4264   11.7586    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4487    7.7597    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5375    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 16 15  1  0  0  0  0
 16  6  1  0  0  0  0
 12 16  1  0  0  0  0
  6  1  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
 10  4  1  0  0  0  0
 12  5  1  0  0  0  0
  6 10  1  0  0  0  0
 15  7  1  0  0  0  0
 14  7  1  0  0  0  0
 12  8  1  0  0  0  0
 13  8  1  0  0  0  0
 12  9  1  6  0  0  0
 10 18  1  0  0  0  0
 10 11  1  1  0  0  0
 14 13  1  0  0  0  0
 14  9  1  6  0  0  0
 16 17  1  1  0  0  0
 13 21  2  0  0  0  0
 18 20  1  0  0  0  0
 18 19  1  0  0  0  0
  4 22  1  1     0  0
  5 23  1  1     0  0
  1 24  1  6     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  2  0     0  0
  8 28  2  0     0  0
 14 29  1  0     0  0
 15 30  1  6     0  0
 30 31  1  0     0  0
 31 32  2  0     0  0
 31 33  1  0     0  0
  5 34  1  0     0  0
 34 35  1  0     0  0
  6 35  1  6  0  0  0
M  END
> <LM_ID>
LMPR0104130009

> <COMMON_NAME>
Shikokianin

> <SYSTEMATIC_NAME>
6beta,7beta,13alpha-trihydroxy-1alpha,11alpha-bis(acetoxy)-7alpha,20-epoxy-ent-kaur-16-en-15-one

> <FORMULA>
C24H32O9

> <MASS>
464.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Kaurane and phyllocladane diterpenoids [PR010413]

> <SYNONYMS>


> <INCHI_KEY>
GEVISCTYPQZBRX-NDKARBPASA-N

> <INCHI>
InChI=1S/C24H32O9/c1-11-18(27)23-9-21(11,29)8-14(32-12(2)25)16(23)22-10-31-24(23,30)19(28)17(22)20(4,5)7-6-15(22)33-13(3)26/h14-17,19,28-30H,1,6-10H2,2-5H3/t14-,15+,16+,17-,19+,21+,22+,23+,24+/m1/s1

> <SMILES>
[C@H]1(OC(=O)C)CCC(C)(C)[C@]2([H])[C@]31CO[C@](O)([C@]14C[C@](O)(C(=C)C1=O)C[C@@H](OC(C)=O)[C@@]34[H])[C@H]2O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121100

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
199544

> <CITATION>
33131334

$$$$