Mol:BMMCBZ4Ss016
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
41 41 0 0 0 999 V2000
21.6445 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
22.3590 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
23.0734 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
23.7879 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
23.0734 -10.0625 0.0000 C 0 0 0 0 0 0 0 0 0
24.5024 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
18.7866 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
19.5011 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
20.2155 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
20.9300 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
20.2155 -10.0625 0.0000 C 0 0 0 0 0 0 0 0 0
15.9287 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
16.6432 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
17.3577 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
18.0721 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
17.3577 -10.0625 0.0000 C 0 0 0 0 0 0 0 0 0
13.0708 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
13.7853 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
14.4998 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
15.2142 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
14.4998 -10.0625 0.0000 C 0 0 0 0 0 0 0 0 0
10.2167 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
10.9311 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
9.5022 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
11.6456 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
12.3601 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
11.6456 -10.0625 0.0000 C 0 0 0 0 0 0 0 0 0
25.2168 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
25.9313 -9.2375 0.0000 C 0 0 0 0 0 0 0 0 0
26.6458 -8.8250 0.0000 C 0 0 0 0 0 0 0 0 0
25.9313 -10.0625 0.0000 C 0 0 0 0 0 0 0 0 0
9.5018 -7.9961 0.0000 C 0 0 0 0 0 0 0 0 0
8.7915 -9.2341 0.0000 C 0 0 0 0 0 0 0 0 0
8.7915 -7.5823 0.0000 C 0 0 0 0 0 0 0 0 0
8.0708 -8.8237 0.0000 C 0 0 0 0 0 0 0 0 0
8.7880 -10.0582 0.0000 O 0 0 0 0 0 0 0 0 0
8.0708 -7.9961 0.0000 C 0 0 0 0 0 0 0 0 0
8.7880 -6.7513 0.0000 C 0 0 0 0 0 0 0 0 0
7.3570 -9.2306 0.0000 O 0 0 0 0 0 0 0 0 0
8.0673 -6.3444 0.0000 O 0 0 0 0 0 0 0 0 0
9.4984 -6.3444 0.0000 O 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
22 24 1 0 0 0
12 13 1 0 0 0
23 25 2 0 0 0
3 4 1 0 0 0
25 26 1 0 0 0
13 14 2 0 0 0
25 27 1 0 0 0
26 17 1 0 0 0
7 8 1 0 0 0
6 28 1 0 0 0
14 15 1 0 0 0
28 29 2 0 0 0
29 30 1 0 0 0
14 16 1 0 0 0
29 31 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
24 32 1 0 0 0
24 33 2 0 0 0
32 34 2 0 0 0
33 35 1 0 0 0
33 36 1 0 0 0
34 37 1 0 0 0
34 38 1 0 0 0
35 39 1 0 0 0
38 40 1 0 0 0
38 41 2 0 0 0
35 37 2 0 0 0
S SKP 7
ID BMMCBZ4Ss016
NAME 3- [(2E,6E,10E,14E,18E) -3,7,11,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] -4,5-dihydroxybenzoic acid
CAS_RN 63975-40-6
FORMULA C37H54O4
EXACTMASS 562.402210216
AVERAGEMASS 562.82226
SMILES C(C=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)CC(C)=CCCC(=CCc(c1O)cc(C(O)=O)cc1O)C
M END
