KEGG   COMPOUND: C16813
Entry
C16813                      Compound                               
Name
Valeranone
Formula
C15H26O
Exact mass
222.1984
Mol weight
222.3663
Structure
Brite
Lipids [BR:br08002]
 PR  Prenol lipids
  PR01 Isoprenoids
   PR0103 C15 isoprenoids (sesquiterpenes)
    PR010331 Valerane sesquiterpenoids
     C16813  Valeranone
Other DBs
CAS: 55528-90-0
PubChem: 96023337
ChEBI: 80748
NIKKAJI: J14.836I
LinkDB
KCF data

ATOM        16
            1   C1x C    17.9900  -16.4500
            2   C1x C    17.9900  -17.8500
            3   C1x C    19.2024  -18.5500
            4   C1z C    20.4149  -17.8500
            5   C1z C    20.4149  -16.4500
            6   C5x C    19.2024  -15.7500
            7   C1x C    21.6273  -18.5500
            8   C1x C    22.8397  -17.8500
            9   C1y C    22.8397  -16.4500
            10  C1x C    21.6273  -15.7500
            11  C1c C    24.0373  -15.7585
            12  C1a C    20.4149  -15.0500
            13  C1a C    20.4149  -19.2500
            14  O5x O    19.2024  -14.3502
            15  C1a C    25.2255  -16.4446
            16  C1a C    24.0375  -14.3503
BOND        17
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    9  10 1
            11    5  10 1
            12    9  11 1 #Up
            13    5  12 1 #Down
            14    4  13 1 #Down
            15    6  14 2
            16   11  15 1
            17   11  16 1

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