Mol:BMMCBZ4Ss019
From Metabolomics.JP
(Difference between revisions)
(New page: Copyright: ARM project http://www.metabolome.jp/ 40 40 0 0 0 999 V2000 21.9805 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0 22.7033 -8.6149 ...) |
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| Line 83: | Line 83: | ||
36 37 1 0 0 0 | 36 37 1 0 0 0 | ||
31 22 1 0 0 0 | 31 22 1 0 0 0 | ||
| − | S SKP | + | S SKP 7 |
| − | + | ||
ID BMMCBZ4Ss019 | ID BMMCBZ4Ss019 | ||
| + | NAME 2- [(2E,6E,10E,14E,18E) -3,7,11,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] -6-methoxycyclohexa-2,5-diene-1,4-dione | ||
| + | CAS_RN 958728-40-0 | ||
FORMULA C37H54O3 | FORMULA C37H54O3 | ||
EXACTMASS 546.407295594 | EXACTMASS 546.407295594 | ||
AVERAGEMASS 546.82286 | AVERAGEMASS 546.82286 | ||
| + | SMILES C(C=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)CC(C)=CCCC(C)=CCc(c1)c(=O)c(cc1=O)OC | ||
SMILES C(C=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)CC(C)=CCCC(C)=CCc(c1)c(=O)c(cc1=O)OC | SMILES C(C=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)CC(C)=CCCC(C)=CCc(c1)c(=O)c(cc1=O)OC | ||
M END | M END | ||
Revision as of 16:24, 17 June 2010
Copyright: ARM project http://www.metabolome.jp/
40 40 0 0 0 999 V2000
21.9805 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
22.7033 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
23.4261 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
24.1447 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
23.4261 -9.8649 0.0000 C 0 0 0 0 0 0 0 0 0
24.8675 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
19.0916 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
19.8144 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
20.5372 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
21.2559 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
20.5372 -9.8649 0.0000 C 0 0 0 0 0 0 0 0 0
16.2046 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
16.9274 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
17.6502 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
18.3688 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
17.6502 -9.8649 0.0000 C 0 0 0 0 0 0 0 0 0
13.3175 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
14.0403 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
14.7631 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
15.4818 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
14.7631 -9.8649 0.0000 C 0 0 0 0 0 0 0 0 0
10.4305 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
11.1533 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
11.8761 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
12.5947 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
11.8761 -9.8649 0.0000 C 0 0 0 0 0 0 0 0 0
25.5903 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
26.3131 -9.0316 0.0000 C 0 0 0 0 0 0 0 0 0
27.0318 -8.6149 0.0000 C 0 0 0 0 0 0 0 0 0
26.3131 -9.8649 0.0000 C 0 0 0 0 0 0 0 0 0
9.7069 -8.6163 0.0000 C 0 0 0 0 0 0 0 0 0
9.0172 -9.0197 0.0000 C 0 0 0 0 0 0 0 0 0
9.7069 -7.8086 0.0000 C 0 0 0 0 0 0 0 0 0
8.3130 -8.6163 0.0000 C 0 0 0 0 0 0 0 0 0
9.0172 -9.8273 0.0000 O 0 0 0 0 0 0 0 0 0
9.0172 -7.4010 0.0000 C 0 0 0 0 0 0 0 0 0
8.3130 -7.8086 0.0000 C 0 0 0 0 0 0 0 0 0
7.5875 -9.0266 0.0000 O 0 0 0 0 0 0 0 0 0
9.0207 -6.5727 0.0000 O 0 0 0 0 0 0 0 0 0
6.8737 -8.6163 0.0000 C 0 0 0 0 0 0 0 0 0
19 21 1 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
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
34 37 2 0 0 0
34 38 1 0 0 0
36 39 2 0 0 0
38 40 1 0 0 0
36 37 1 0 0 0
31 22 1 0 0 0
S SKP 7
ID BMMCBZ4Ss019
NAME 2- [(2E,6E,10E,14E,18E) -3,7,11,15,19,23-Hexamethyltetracosa-2,6,10,14,18,22-hexaenyl] -6-methoxycyclohexa-2,5-diene-1,4-dione
CAS_RN 958728-40-0
FORMULA C37H54O3
EXACTMASS 546.407295594
AVERAGEMASS 546.82286
SMILES C(C=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)CC(C)=CCCC(C)=CCc(c1)c(=O)c(cc1=O)OC
SMILES C(C=C(CCC=C(CCC=C(CCC=C(C)C)C)C)C)CC(C)=CCCC(C)=CCc(c1)c(=O)c(cc1=O)OC
M END
