LMPR0103860003
  LIPID_MAPS_STRUCTURE_DATABASE

 18 21  0     0  0            999 V2000
    5.9406    8.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9406    7.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7896    6.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385    7.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385    8.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7896    8.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    6.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3362    7.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3362    8.2597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4873    8.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385    6.2993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1851    6.7894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2995    5.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2797    5.9406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6385    9.2399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3362    9.2399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3362    6.0914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2140    7.3835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  5  1  0  0  0  0
  4 11  1  6  0  0  0
  7 11  1  6  0  0  0
  8 12  1  1  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  5 15  1  6  0  0  0
  9 16  1  6     0  0
 10 16  1  6     0  0
  8 17  1  6     0  0
 12 18  1  0     0  0
M  END
> <LM_ID>
LMPR0103860003

> <COMMON_NAME>
Thujasutchin N

> <SYSTEMATIC_NAME>
(1R,2S,3S,4S,5R,6S)-4-(hydroxymethyl)-1,7,7-trimethyldecahydrocyclopropa[6,7]naphtho[9-b,10]oxiren-4-ol

> <FORMULA>
C15H24O3

> <MASS>
252.17

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C15 isoprenoids (sesquiterpenes) [PR0103]

> <CLASS_LEVEL4>
Thujopsane sesquiterpenoids [PR010386]

> <SYNONYMS>


> <INCHI_KEY>
WQZLFGCCJCAXPN-IHOPTDDCSA-N

> <INCHI>
InChI=1S/C15H24O3/c1-12(2)5-4-6-13(3)10-11(18-10)14(17,8-16)9-7-15(9,12)13/h9-11,16-17H,4-8H2,1-3H3/t9-,10+,11-,13-,14+,15-/m0/s1

> <SMILES>
C1C[C@@]2(C)[C@@H]3O[C@@H]3[C@@](O)(CO)[C@@H]3C[C@]23C(C)(C)C1

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171121258

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
307274

> <CITATION>
33094650

$$$$