Mol:BMMCBZ4Ss018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 41 0 0 0 999 V2000
17.1853 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
17.9081 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
18.6309 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
19.3495 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
18.6309 -8.8612 0.0000 C 0 0 0 0 0 0 0 0 0
20.0723 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
14.3011 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
15.0239 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
15.7467 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
16.4653 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
15.7467 -8.8612 0.0000 C 0 0 0 0 0 0 0 0 0
11.4140 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
12.1368 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
12.8596 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
13.5783 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
12.8596 -8.8612 0.0000 C 0 0 0 0 0 0 0 0 0
8.5270 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
9.2498 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
9.9726 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
10.6912 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
9.9726 -8.8612 0.0000 C 0 0 0 0 0 0 0 0 0
5.6395 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
6.3623 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
7.0851 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
7.8037 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
7.0851 -8.8612 0.0000 C 0 0 0 0 0 0 0 0 0
20.7951 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
21.5180 -8.0279 0.0000 C 0 0 0 0 0 0 0 0 0
22.2366 -7.6112 0.0000 C 0 0 0 0 0 0 0 0 0
21.5180 -8.8612 0.0000 C 0 0 0 0 0 0 0 0 0
4.9151 -7.6139 0.0000 C 0 0 0 0 0 0 0 0 0
4.2254 -8.0208 0.0000 C 0 0 0 0 0 0 0 0 0
4.9151 -6.8064 0.0000 C 0 0 0 0 0 0 0 0 0
3.5178 -7.6139 0.0000 C 0 0 0 0 0 0 0 0 0
4.2254 -8.8285 0.0000 O 0 0 0 0 0 0 0 0 0
4.2254 -6.4022 0.0000 C 0 0 0 0 0 0 0 0 0
5.6331 -6.3918 0.0000 C 0 0 0 0 0 0 0 0 0
3.5178 -6.8064 0.0000 C 0 0 0 0 0 0 0 0 0
2.7957 -8.0277 0.0000 O 0 0 0 0 0 0 0 0 0
4.2254 -5.5738 0.0000 O 0 0 0 0 0 0 0 0 0
2.0819 -7.6139 0.0000 C 0 0 0 0 0 0 0 0 0
20 12 1 0 0 0
10 1 1 0 0 0
4 6 1 0 0 0
22 23 1 0 0 0
1 2 1 0 0 0
23 24 2 0 0 0
12 13 1 0 0 0
24 25 1 0 0 0
3 4 1 0 0 0
24 26 1 0 0 0
25 17 1 0 0 0
13 14 2 0 0 0
6 27 1 0 0 0
7 8 1 0 0 0
27 28 2 0 0 0
14 15 1 0 0 0
28 29 1 0 0 0
28 30 1 0 0 0
14 16 1 0 0 0
15 7 1 0 0 0
8 9 2 0 0 0
3 5 1 0 0 0
17 18 1 0 0 0
9 10 1 0 0 0
18 19 2 0 0 0
2 3 2 0 0 0
19 20 1 0 0 0
9 11 1 0 0 0
19 21 1 0 0 0
31 32 1 0 0 0
31 33 2 0 0 0
32 34 1 0 0 0
32 35 2 0 0 0
33 36 1 0 0 0
33 37 1 0 0 0
34 38 2 0 0 0
34 39 1 0 0 0
36 40 2 0 0 0
39 41 1 0 0 0
36 38 1 0 0 0
31 22 1 0 0 0
S SKP 7
ID BMMCBZ4Ss018
NAME 3- [(2E,6E,10E,14E,18E) -3,7,11,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] -5-methoxy-2-methylcyclohexa-2,5-diene-1,4-dione
CAS_RN 18735-30-3
FORMULA C38H56O3
EXACTMASS 560.422945658
AVERAGEMASS 560.8494400000001
SMILES CC(CCC=C(CCC=C(CCC=C(C)CCC=C(C)C)C)C)=CCCC(C)=CCc(c1C)c(c(OC)cc(=O)1)=O
M END
