KEGG   COMPOUND: C11350
Entry
C11350                      Compound                               
Name
(+)-trans-alpha-Irone
Formula
C14H22O
Exact mass
206.1671
Mol weight
206.3239
Structure
Comment
(+)-cis-alpha-Irone [CPD:C09690]
Brite
Phytochemical compounds [BR:br08003]
 Terpenoids
  Sesquiterpenoids (C15)
   Others
    C11350  (+)-trans-alpha-Irone
Other DBs
CAS: 35124-14-2
PubChem: 13525
ChEBI: 62
KNApSAcK: C00003154
3DMET: B04222
NIKKAJI: J65.766B
LinkDB
KCF data

ATOM        15
            1   C1y C    27.4690  -19.5469
            2   C1z C    26.2567  -18.8417
            3   C2y C    27.4690  -20.9457
            4   C1y C    25.0385  -19.5469
            5   C1a C    26.9387  -17.6236
            6   C1a C    25.5399  -17.6236
            7   C2x C    26.2567  -21.6451
            8   C1a C    28.6812  -21.6451
            9   C1x C    25.0385  -20.9457
            10  C1a C    23.8306  -18.8504
            11  C2b C    28.6696  -18.8417
            12  C2b C    29.8820  -19.5352
            13  C5a C    31.0884  -18.8358
            14  O5a O    31.0825  -17.4313
            15  C1a C    32.3006  -19.5295
BOND        15
            1    13  14 2
            2    13  15 1
            3     2   6 1
            4     3   7 2
            5     3   8 1
            6     4   9 1
            7     7   9 1
            8     4  10 1 #Down
            9     1  11 1 #Up
            10    1   2 1
            11    1   3 1
            12    2   4 1
            13    2   5 1
            14   11  12 2
            15   12  13 1

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