KEGG   COMPOUND: C08451
Entry
C08451                      Compound                               
Name
Falcarinone;
(Z)-1,9-Heptadecadiene-4,6-diyn-3-one
Formula
C17H22O
Exact mass
242.1671
Mol weight
242.356
Structure
Brite
Lipids [BR:br08002]
 FA  Fatty acyls
  FA12 Oxygenated hydrocarbons
   C08451  Falcarinone
Other DBs
CAS: 4117-11-7
PubChem: 10644
ChEBI: 4973
LIPIDMAPS: LMFA12000336
KNApSAcK: C00001285
NIKKAJI: J15.792I
LinkDB
KCF data

ATOM        18
            1   C3b C    31.6569  -19.9442
            2   C3b C    30.2688  -19.9442
            3   C3b C    33.0507  -19.9500
            4   C1b C    28.8808  -19.9383
            5   C3b C    34.4388  -19.9559
            6   C2b C    27.6852  -20.6324
            7   C5a C    35.8209  -19.9559
            8   C2b C    26.2213  -20.6324
            9   C2b C    37.0341  -20.6441
            10  O5a O    35.8676  -18.4454
            11  C1b C    25.0198  -19.9383
            12  C2a C    38.2355  -19.9559
            13  C1b C    23.8125  -20.6324
            14  C1b C    22.6112  -19.9383
            15  C1b C    21.4156  -20.6324
            16  C1b C    20.2141  -19.9383
            17  C1b C    19.0068  -20.6324
            18  C1a C    17.7995  -19.9383
BOND        17
            1     1   2 3
            2     1   3 1
            3     2   4 1
            4     3   5 3
            5     4   6 1
            6     5   7 1
            7     6   8 2
            8     7   9 1
            9     7  10 2
            10    8  11 1
            11    9  12 2
            12   11  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   17  18 1

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