LMPR0103160007
  LIPID_MAPS_STRUCTURE_DATABASE

 17 18  0     0  0            999 V2000
    7.7199    6.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5768    7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7199    8.2822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8629    7.7875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8629    6.7979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4514    8.3028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3589    7.9085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0145    8.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5122    9.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5460    9.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7518    9.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5732    6.9422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3147    7.6523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0058    7.9538    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5821    6.2536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6103    8.8738    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  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  0  0  0  0
  5 15  1  0  0  0  0
  2 16  2  0  0  0  0
  5 17  1  1     0  0
M  END
> <LM_ID>
LMPR0103160007

> <COMMON_NAME>
Herbertenone B

> <SYSTEMATIC_NAME>


> <FORMULA>
C15H22O2

> <MASS>
234.16

> <CATEGORY>
Prenol Lipids [PR]

> <MAIN_CLASS>
Isoprenoids [PR01]

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

> <CLASS_LEVEL4>
Herbertane sesquiterpenoids [PR010316]

> <SYNONYMS>


> <INCHI_KEY>
IAHVMQAYDBMMQB-HUUCEWRRSA-N

> <INCHI>
InChI=1S/C15H22O2/c1-13(2)7-5-8-15(13,4)11-10-14(3,17)9-6-12(11)16/h6,9-10,17H,5,7-8H2,1-4H3/t14-,15-/m1/s1

> <SMILES>
C1=C[C@](O)(C)C=C([C@@]2(C)CCCC2(C)C)C1=O

> <KEGG_ID>
-

> <HMDB_ID>
-

> <CHEBI_ID>
-

> <ABBREVIATION>
-

> <CAYMAN_ID>
-

> <SWISSLIPIDS_ID>
-

> <PUBCHEM_COMPOUND_ID>
15545712

> <LIPIDBANK_ID>
-

> <ALT_CATEGORIES>
-

> <ALT_MAIN_CLASSES>
-

> <ALT_SUB_CLASSES>
-

> <ALT_CLASS_LEVEL4S>
-

> <TAXONOMY>
280633

> <CITATION>
11142851

$$$$