LMPR0103050005
  LIPID_MAPS_STRUCTURE_DATABASE

 20 21  0  0  0  0  0  0  0  0999 V2000
    6.2824    6.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0105    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4665    6.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1945    6.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9225    6.6813    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9225    7.5219    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6505    6.2610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9225    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6505    5.4203    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3786    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6170    6.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0105    6.6813    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9980    7.5484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2824    5.4203    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5544    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4665    5.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7384    5.4203    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9109    5.5451    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7384    6.2610    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.4665    5.8406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 12  1  0  0  0  0
 14  2  1  0  0  0  0
  2 17  1  0  0  0  0
 19  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  7  2  0  0  0  0
  5  6  1  0  0  0  0
  7  9  1  0  0  0  0
  9  8  2  0  0  0  0
  9 10  1  0  0  0  0
 12 11  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 13  1  6  0  0  0
 14 15  1  1  0  0  0
 17 16  1  6  0  0  0
 17 19  1  0  0  0  0
 17 18  1  0  0  0  0
 19 20  1  6  0  0  0
M  END
> <LM_ID>
LMPR0103050005

> <COMMON_NAME>
dihydrophaseic acid

> <SYSTEMATIC_NAME>
(2Z,4E)-5-[(1R,3S,5R,8S)-3,8-dihydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]oct-8-yl]-3-methylpenta-2,4-dienoic acid

> <FORMULA>
C15H22O5

> <MASS>
282.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Cyclofarnesane sesquiterpenoids [PR010305]

> <SYNONYMS>


> <INCHI_KEY>
XIVFQYWMMJWUCD-VSTJRZLJSA-N

> <INCHI>
InChI=1S/C15H22O5/c1-10(6-12(17)18)4-5-15(19)13(2)7-11(16)8-14(15,3)20-9-13/h4-6,11,16,19H,7-9H2,1-3H3,(H,17,18)/b5-4+,10-6-/t11-,13+,14+,15-/m0/s1

> <SMILES>
C1[C@@]2(C)[C@](O)([C@@](OC2)(C)C[C@H]1O)/C=C/C(/C)=C\C(O)=O

> <KEGG_ID>
C15971

> <HMDB_ID>
-

> <CHEBI_ID>
23757

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
11988272

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$