Mol:FL1CAENI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 33 0 0 0 0 0 0 0 0999 V2000 | + | 32 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.3126 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3126 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3126 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3126 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8689 0.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8689 0.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4252 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4252 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4252 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4252 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8689 1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8689 1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1794 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1794 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7357 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7357 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3767 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3767 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9377 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9377 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3767 -0.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3767 -0.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9377 1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9377 1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4903 1.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4903 1.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0430 1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0430 1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0430 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0430 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4903 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4903 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4903 -0.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4903 -0.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3851 1.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3851 1.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9813 0.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9813 0.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6370 1.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6370 1.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5955 0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5955 0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5955 -0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5955 -0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1456 -0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1456 -0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1456 -1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1456 -1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6958 -0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6958 -0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8689 -0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8689 -0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4250 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4250 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4250 -1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4250 -1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9811 -1.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9811 -1.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8689 -1.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8689 -1.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9813 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9813 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6958 1.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6958 1.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 4 19 1 0 0 0 0 | + | 4 19 1 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 5 31 1 0 0 0 0 | + | 5 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 32 -5.7172 5.0158 | + | M SBV 1 32 -5.7172 5.0158 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CAENI0002 | + | ID FL1CAENI0002 |
| − | KNApSAcK_ID C00007116 | + | KNApSAcK_ID C00007116 |
| − | NAME Antiarone C | + | NAME Antiarone C |
| − | CAS_RN 130756-16-0 | + | CAS_RN 130756-16-0 |
| − | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
| − | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
| − | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
| − | SMILES c(c1C(C=Cc(c2CC=C(C)C)ccc(c2O)OC)=O)(O)c(CC=C(C)C)c(cc(O)1)O | + | SMILES c(c1C(C=Cc(c2CC=C(C)C)ccc(c2O)OC)=O)(O)c(CC=C(C)C)c(cc(O)1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 33 0 0 0 0 0 0 0 0999 V2000
1.3126 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3126 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8689 0.3074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4252 0.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4252 1.2710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8689 1.5921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1794 0.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7357 0.3280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3767 0.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9377 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3767 -0.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9377 1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4903 1.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0430 1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0430 0.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4903 0.3427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4903 -0.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3851 1.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9813 0.3075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6370 1.5330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5955 0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5955 -0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1456 -0.6115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1456 -1.2467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6958 -0.2939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8689 -0.3347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4250 -1.2979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9811 -1.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8689 -1.6190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9813 1.5920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6958 1.1795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 10 1 0 0 0 0
16 17 1 0 0 0 0
12 18 1 0 0 0 0
4 19 1 0 0 0 0
20 14 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
5 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 32
M SMT 1 OCH3
M SBV 1 32 -5.7172 5.0158
S SKP 8
ID FL1CAENI0002
KNApSAcK_ID C00007116
NAME Antiarone C
CAS_RN 130756-16-0
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES c(c1C(C=Cc(c2CC=C(C)C)ccc(c2O)OC)=O)(O)c(CC=C(C)C)c(cc(O)1)O
M END
