COMPOUND: C08451
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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
Mol file
KCF file
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Brite
Lipids [BR:
br08002
]
FA Fatty acyls
FA12 Oxygenated hydrocarbons
C08451 Falcarinone
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Other DBs
CAS:
4117-11-7
PubChem:
10644
ChEBI:
4973
LIPIDMAPS:
LMFA12000336
KNApSAcK:
C00001285
NIKKAJI:
J15.792I
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KCF data
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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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