Mol:BMMCBZ4Ss017
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 42 0 0 0 999 V2000
22.7215 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
23.4360 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
24.1505 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
23.4360 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0
22.0071 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
19.8637 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
20.5781 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
21.2926 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
20.5781 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0
19.1492 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
17.0090 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
17.7235 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
18.4380 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
17.7235 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0
16.2946 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
10.5788 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
11.2933 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
9.8643 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
12.0077 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
12.7222 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
12.0077 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0
13.4367 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
14.1512 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
14.8656 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
15.5801 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
14.8656 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0
24.8650 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
25.5794 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
26.2939 -9.2362 0.0000 C 0 0 0 0 0 0 0 0 0
27.0084 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
26.2939 -10.0612 0.0000 C 0 0 0 0 0 0 0 0 0
9.1513 -9.2444 0.0000 C 0 0 0 0 0 0 0 0 0
9.8643 -7.9969 0.0000 C 0 0 0 0 0 0 0 0 0
8.4348 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
9.1513 -10.0678 0.0000 O 0 0 0 0 0 0 0 0 0
9.1513 -7.5906 0.0000 C 0 0 0 0 0 0 0 0 0
8.4348 -7.9969 0.0000 C 0 0 0 0 0 0 0 0 0
7.7107 -9.2444 0.0000 O 0 0 0 0 0 0 0 0 0
9.1513 -6.7638 0.0000 C 0 0 0 0 0 0 0 0 0
6.9941 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
9.8678 -6.3431 0.0000 O 0 0 0 0 0 0 0 0 0
8.4348 -6.3362 0.0000 O 0 0 0 0 0 0 0 0 0
22 23 1 0 0 0
12 13 1 0 0 0
23 24 2 0 0 0
2 4 1 0 0 0
24 25 1 0 0 0
12 14 1 0 0 0
24 26 1 0 0 0
25 15 1 0 0 0
13 10 1 0 0 0
8 5 1 0 0 0
7 8 1 0 0 0
3 27 1 0 0 0
11 15 1 0 0 0
27 28 1 0 0 0
28 29 2 0 0 0
7 9 1 0 0 0
29 30 1 0 0 0
16 17 1 0 0 0
29 31 1 0 0 0
1 5 1 0 0 0
16 18 1 0 0 0
6 10 1 0 0 0
17 19 2 0 0 0
2 3 1 0 0 0
19 20 1 0 0 0
1 2 2 0 0 0
19 21 1 0 0 0
11 12 2 0 0 0
20 22 1 0 0 0
6 7 2 0 0 0
18 32 2 0 0 0
18 33 1 0 0 0
32 34 1 0 0 0
32 35 1 0 0 0
33 36 2 0 0 0
34 37 2 0 0 0
34 38 1 0 0 0
36 39 1 0 0 0
38 40 1 0 0 0
39 41 1 0 0 0
39 42 2 0 0 0
36 37 1 0 0 0
S SKP 7
ID BMMCBZ4Ss017
NAME 3- [(2E,6E,10E,14E,18E) -3,7,11,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] -4-hydroxy-5-methoxybenzoic acid
CAS_RN 66551-60-8
FORMULA C38H56O4
EXACTMASS 576.41786028
AVERAGEMASS 576.8488400000001
SMILES C(C=C(C)CCC=C(C)C)CC(=CCCC(C)=CCCC(=CCCC(C)=CCc(c1O)cc(cc(OC)1)C(O)=O)C)C
SMILES C(C=C(C)CCC=C(C)C)CC(=CCCC(C)=CCCC(=CCCC(C)=CCc(c1O)cc(cc(OC)1)C(O)=O)C)C
M END
