LMPR0104240008
  LIPID_MAPS_STRUCTURE_DATABASE

 22 23  0     0  0            999 V2000
    5.3146   -4.7268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1144   -5.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8089   -6.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8202   -6.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5146   -5.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8980   -5.4700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0244   -6.4498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412   -7.1636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3594   -7.0774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0422   -4.9584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6832   -4.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5951   -5.2508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7216   -6.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9363   -6.8302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2390   -7.0482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3660   -5.8726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5567   -3.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2116   -4.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0507   -7.9635    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4996   -6.8127    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2444   -6.9436    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6456   -7.9618    0.0000 C   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
  4  5  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  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14  7  2  0     0  0
  4 15  2  0     0  0
  7 16  1  0     0  0
 11 17  2  0     0  0
  2 18  1  6     0  0
  9 19  1  1     0  0
  3 20  1  1     0  0
 15 21  1  0     0  0
 15 22  1  0     0  0
M  END
> <LM_ID>
LMPR0104240008

> <COMMON_NAME>
Clavurol C

> <SYSTEMATIC_NAME>


> <FORMULA>
C20H32O

> <MASS>
288.25

> <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>
CKNMAKIWPBIZGG-NDNTUKDLSA-N

> <INCHI>
InChI=1S/C20H32O/c1-14(2)17-10-12-20(5)11-9-15(3)7-6-8-16(4)13-18(21)19(17)20/h8,18-19,21H,3,6-7,9-13H2,1-2,4-5H3/b16-8+/t18-,19+,20-/m1/s1

> <SMILES>
C1C/C(=C(/C)\C)/[C@@]2([H])[C@H](O)CC(C)=CCCC(=C)CC[C@]12C

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
171119634

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
153213

> <CITATION>
35097299

$$$$