LMPR0104130010
  LIPID_MAPS_STRUCTURE_DATABASE

 38 42  0     0  0            999 V2000
    7.0894    9.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2165    8.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2165    7.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8353    7.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7082    7.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9622    8.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3707   10.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6465    9.1046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5856    9.9685    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9622    7.7286    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9622    6.9514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7082    8.7365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9436   10.0680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3758   10.9008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6851   10.2372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8353    9.2404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1943    9.5659    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0894    7.2245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2165    6.7206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0894    6.2165    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9402   10.2180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8353    6.1988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5966    7.2157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0895   10.2661    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2013   10.7790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2013   11.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3129   10.2662    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2983    8.4819    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8886   11.7890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1408   11.1549    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6433   12.0492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1201   12.9315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6690   12.0612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6661    7.9594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7572    8.6161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1258    8.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2468    7.2143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9249    8.8081    0.0000 O   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  1     0  0
 24 25  1  0     0  0
 25 26  1  0     0  0
 25 27  2  0     0  0
  8 28  1  1     0  0
 14 29  1  0     0  0
 15 30  1  1     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
 28 36  1  0     0  0
 36 37  1  0     0  0
 36 38  2  0     0  0
M  END
> <LM_ID>
LMPR0104130010

> <COMMON_NAME>
Shikokianin B

> <SYSTEMATIC_NAME>
6beta,7beta,13alpha-trihydroxy-1beta,11beta,15beta-triacetoxy-7alpha,20-epoxy-ent-kaur-16-ene

> <FORMULA>
C26H36O10

> <MASS>
508.23

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Kaurane and phyllocladane diterpenoids [PR010413]

> <SYNONYMS>


> <INCHI_KEY>
PJYAEGVKTVFANX-QAEXWNLHSA-N

> <INCHI>
InChI=1S/C26H36O10/c1-12-21(36-15(4)29)25-10-23(12,31)9-16(34-13(2)27)18(25)24-11-33-26(25,32)20(30)19(24)22(5,6)8-7-17(24)35-14(3)28/h16-21,30-32H,1,7-11H2,2-6H3/t16-,17+,18-,19+,20-,21+,23-,24-,25-,26-/m0/s1

> <SMILES>
[C@@H]1(OC(=O)C)CCC(C)(C)[C@]2([H])[C@]31CO[C@](O)([C@]14C[C@](O)(C(=C)[C@H]1OC(=O)C)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>
171121101

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
199544

> <CITATION>
33131334

$$$$