KEGG   COMPOUND: C12295
Entry
C12295                      Compound                               

Name
Citronellyl formate
Formula
C11H20O2
Exact mass
184.1463
Mol weight
184.2753
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0102 C10 isoprenoids (monoterpenes)
    PR010201 Acyclic monoterpenoids
     C12295  Citronellyl formate
Other DBs
CAS: 105-85-1
PubChem: 14439
ChEBI: 172076 31406
ChEMBL: CHEMBL3184928
LIPIDMAPS: LMPR0102010014
KNApSAcK: C00035565
3DMET: B05623
NIKKAJI: J2.854A
KCF data

ATOM        13
            1   C1a C    22.8927  -19.3139
            2   C2c C    24.1045  -18.6095
            3   C2b C    25.3161  -19.3070
            4   C1b C    26.5278  -18.6024
            5   C1b C    27.7396  -19.2999
            6   C1c C    28.9442  -18.5953
            7   C1b C    30.1558  -19.2928
            8   C1b C    31.3676  -18.5884
            9   O2a O    32.5793  -19.2858
            10  C7a C    33.7909  -18.5813
            11  C1a C    24.1014  -17.2075
            12  C1a C    28.9412  -17.1935
            13  O6a O    33.7893  -17.1793
BOND        12
            1     6   7 1
            2     3   4 1
            3     7   8 1
            4     8   9 1
            5     4   5 1
            6     9  10 1
            7     2   3 2
            8     2  11 1
            9     5   6 1
            10    6  12 1
            11    1   2 1
            12   10  13 2

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