LMPR0103160005
  LIPID_MAPS_STRUCTURE_DATABASE

 17 19  0     0  0            999 V2000
    7.7899    6.3603    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6545    6.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6545    7.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7899    8.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9251    7.8581    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9251    6.8596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5371    8.3781    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4528    7.9802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1143    8.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6075    9.5881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6326    9.3720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8311    9.0842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6691    7.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4173    7.7217    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0603    8.3573    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6690    6.3103    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6229    6.7046    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11  7  1  0  0  0  0
  7 12  1  6  0  0  0
  8 13  1  0  0  0  0
  8 14  1  1  0  0  0
  5 15  1  0  0  0  0
  2 16  1  0  0  0  0
 13 17  1  1     0  0
 13 16  1  0     0  0
M  END
> <LM_ID>
LMPR0103160005

> <COMMON_NAME>
Herbertenelactol

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H20O2

> <MASS>
232.15

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Herbertane sesquiterpenoids [PR010316]

> <SYNONYMS>


> <INCHI_KEY>
RJCZTDUUHXPXIL-RRFJBIMHSA-N

> <INCHI>
InChI=1S/C15H20O2/c1-10-5-6-12-11(9-10)14(2)7-4-8-15(14,3)13(16)17-12/h5-6,9,13,16H,4,7-8H2,1-3H3/t13-,14+,15+/m0/s1

> <SMILES>
C1=CC(C)=CC2[C@@]3(C)CCC[C@]3(C)[C@H](OC1=2)O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15545711

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
280633

> <CITATION>
11142851

$$$$