Mol:BMMCBZ4Ss020
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
42 42 0 0 0 999 V2000
12.8898 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
13.6126 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
14.3354 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
15.0541 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
14.3354 -12.0041 0.0000 C 0 0 0 0 0 0 0 0 0
15.7769 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
10.0028 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
10.7256 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
11.4484 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
12.1670 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
11.4484 -12.0041 0.0000 C 0 0 0 0 0 0 0 0 0
7.1157 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
7.8385 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
8.5613 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
9.2800 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
8.5613 -12.0041 0.0000 C 0 0 0 0 0 0 0 0 0
4.2287 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
4.9515 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
5.6743 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
6.3929 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
5.6743 -12.0041 0.0000 C 0 0 0 0 0 0 0 0 0
1.3416 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
2.0644 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
2.7872 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
3.5059 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
2.7872 -12.0041 0.0000 C 0 0 0 0 0 0 0 0 0
16.4997 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
17.2225 -11.1708 0.0000 C 0 0 0 0 0 0 0 0 0
17.9411 -10.7541 0.0000 C 0 0 0 0 0 0 0 0 0
17.2225 -12.0041 0.0000 C 0 0 0 0 0 0 0 0 0
0.6152 -10.7574 0.0000 C 0 0 0 0 0 0 0 0 0
-0.0745 -11.1643 0.0000 C 0 0 0 0 0 0 0 0 0
0.6152 -9.9498 0.0000 C 0 0 0 0 0 0 0 0 0
-0.7787 -10.7574 0.0000 C 0 0 0 0 0 0 0 0 0
-0.0745 -11.9720 0.0000 O 0 0 0 0 0 0 0 0 0
-0.0745 -9.5457 0.0000 C 0 0 0 0 0 0 0 0 0
1.3332 -9.5353 0.0000 C 0 0 0 0 0 0 0 0 0
-0.7787 -9.9498 0.0000 C 0 0 0 0 0 0 0 0 0
-1.5042 -11.1712 0.0000 O 0 0 0 0 0 0 0 0 0
-0.0710 -8.7174 0.0000 O 0 0 0 0 0 0 0 0 0
-1.5008 -9.5319 0.0000 O 0 0 0 0 0 0 0 0 0
-2.2180 -10.7574 0.0000 C 0 0 0 0 0 0 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
20 12 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
38 41 1 0 0 0
39 42 1 0 0 0
36 38 1 0 0 0
31 22 1 0 0 0
S SKP 7
ID BMMCBZ4Ss020
NAME 5- [(2E,6E,10E,14E,18E) -3,7,11,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] -4-hydroxy-3-methoxy-6-methylcyclohexa-3,5-diene-1,2-dione
CAS_RN 958728-47-7
FORMULA C38H56O4
EXACTMASS 576.41786028
AVERAGEMASS 576.8488400000001
SMILES C(C=C(C)CCC=C(C)C)CC(=CCCC(C)=CCCC(C)=CCCC(C)=CCc(c1C)c(=O)c(OC)c(O)c(=O)1)C
M END
