LMPR0104240017
  LIPID_MAPS_STRUCTURE_DATABASE

 24 26  0     0  0            999 V2000
    5.4694   -4.8645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2925   -5.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781   -6.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9606   -6.4303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6461   -5.4627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1281   -5.6293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4082   -7.2627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5051   -6.9473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5448   -7.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2474   -5.1029    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9362   -5.0123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8747   -5.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0048   -6.4121    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0967   -6.6542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3057   -8.3186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8061   -4.0031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3926   -4.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9781   -8.1929    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9606   -8.1929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4518   -7.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5687   -7.0865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4283   -7.3116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4489   -9.0793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9277   -6.7971    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  5  1  1  0     0  0
 10  2  1  0     0  0
  6 10  1  0     0  0
  9  3  1  0     0  0
  8  9  1  0     0  0
  7  8  1  0     0  0
  6 11  2  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  7  1  0     0  0
  7 15  1  1     0  0
 11 16  1  0     0  0
  2 17  1  6     0  0
  9 18  1  1     0  0
 18 19  1  0     0  0
 19 20  1  0     0  0
 20  4  2  0     0  0
  3 21  1  1     0  0
  4  5  1  0     0  0
 20 22  1  0     0  0
 19 23  2  0     0  0
 13 24  2  0     0  0
M  END
> <LM_ID>
LMPR0104240017

> <COMMON_NAME>
Clavirolide B

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H28O3

> <MASS>
316.20

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Dolabellane and modified dolabellane diterpenoids [PR010424]

> <SYNONYMS>


> <INCHI_KEY>
ONFCMUHTPSEVNW-HINOFURSSA-N

> <INCHI>
InChI=1S/C20H28O3/c1-12-5-7-20(4)8-6-16-14(3)19(22)23-17(18(16)20)11-13(2)10-15(21)9-12/h5,13,17-18H,6-11H2,1-4H3/b12-5+/t13-,17-,18+,20-/m1/s1

> <SMILES>
C1CC2=C(C)C(=O)O[C@@H]3C[C@H](C)CC(=O)CC(C)=CC[C@@]1(C)[C@@]23[H]

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
23426977

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
153213

> <CITATION>
35097299

$$$$