LMFA07010888
  LIPID_MAPS_STRUCTURE_DATABASE

 25 25  0  0  0  0  0  0  0  0999 V2000
    8.1395   -5.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1395   -6.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0014   -6.6353    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0014   -4.6382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8632   -5.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8590   -6.1410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5887   -5.1499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7252   -4.6442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5843   -6.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7147   -6.6370    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0014   -3.6397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0024   -7.6339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4452   -6.6545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4373   -7.6530    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3138   -6.1621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7066   -7.6339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2343   -6.0049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1864   -8.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2008   -8.4963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1993   -8.4994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6921   -9.3687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6905   -9.3630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6987   -9.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6958   -9.3658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1909  -10.2353    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  6  2  0  0  0  0
  4 11  2  0  0  0  0
  5  4  1  0  0  0  0
  3 12  1  0  0  0  0
  9 13  1  1  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
  1  2  1  0  0  0  0
 10 16  1  1  0  0  0
  5  8  1  0  0  0  0
  6 10  1  0  0  0  0
  9  7  1  0  0  0  0
  7  8  1  0  0  0  0
  9 10  1  0  0  0  0
  5 17  2  0  0  0  0
  1  4  1  0  0  0  0
 19 20  1  0  0  0  0
 16 19  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 19 23  2  0  0  0  0
 20 24  2  0  0  0  0
 24 21  1  0  0  0  0
 21 25  1  0  0  0  0
M  END
> <LM_ID>
LMFA07010888

> <COMMON_NAME>
Eunicea sesquiterpenoid 7

> <SYSTEMATIC_NAME>
(1S,2E,10R)-10-acetyl-3-methyl-7-methylidene-6-oxocyclodec-2-en-1-yl (2E)-4-hydroxy-4-methylpent-2-enoate

> <FORMULA>
C20H28O5

> <MASS>
348.19

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Eudesmane sesquiterpenoids [PR010319]

> <SYNONYMS>


> <INCHI_KEY>
WNLDPFSWPBREOU-SURQFZOFSA-N

> <INCHI>
InChI=1S/C20H28O5/c1-13-6-9-17(22)14(2)7-8-16(15(3)21)18(12-13)25-19(23)10-11-20(4,5)24/h10-12,16,18,24H,2,6-9H2,1,3-5H3/b11-10+,13-12+/t16-,18-/m0/s1

> <SMILES>
C1C(C(=C)CC[C@H]([C@H](C=C(C)C1)OC(=O)/C=C/C(O)(C)C)C(C)=O)=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
65877

> <ABBREVIATION>
WE 20:6;O3

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11703004

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
2636189

> <CITATION>
16180813

$$$$