LMPR0102070037
  LIPID_MAPS_STRUCTURE_DATABASE

 14 14  0  0  0  0  0  0  0  0999 V2000
    5.4849    7.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000    6.6502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4849    5.9828    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2696    7.0627    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2696    6.2377    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.9840    7.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9839    5.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6985    7.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9841    8.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9839    5.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6985    6.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2299    5.1982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2697    7.8876    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2695    5.4126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3 12  1  1  0  0  0
  4  1  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  1  0  0  0
  4  5  1  0  0  0  0
  5  3  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  1  0  0  0
  6  8  1  0  0  0  0
  6  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 11  2  0  0  0  0
M  END
> <LM_ID>
LMPR0102070037

> <COMMON_NAME>
dolichodial

> <SYSTEMATIC_NAME>
(1R,2S,5S)-2-(1-formylethenyl)-5-methylcyclopentanecarbaldehyde

> <FORMULA>
C10H14O2

> <MASS>
166.10

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

> <SUB_CLASS>
C10 isoprenoids (monoterpenes) [PR0102]

> <CLASS_LEVEL4>
Iridoid, 10-alkyliridoid and secoiridoid monoterpenoids [PR010207]

> <SYNONYMS>
(1R,2S,5S)-2-(1-formylvinyl)-5-methylcyclopentanecarbaldehyde; Dolichodial

> <INCHI_KEY>
BORBLDJNKYHVJP-FXBDTBDDSA-N

> <INCHI>
InChI=1S/C10H14O2/c1-7-3-4-9(8(2)5-11)10(7)6-12/h5-7,9-10H,2-4H2,1H3/t7-,9+,10+/m0/s1

> <SMILES>
C1[C@]([C@]([H])(C=O)[C@@H](C)C1)([H])C(=C)C=O

> <KEGG_ID>
C09777

> <HMDB_ID>
-

> <CHEBI_ID>
4685

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
442422

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
-

> <CITATION>
-

$$$$