Mol:FL3FEANCN001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 32 0 0 0 0 0 0 0 0999 V2000 | + | 29 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5525 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5525 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5525 -0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5525 -0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0867 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0867 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6209 -0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6209 -0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6209 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6209 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0867 0.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0867 0.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1551 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1551 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3106 -0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3106 -0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3106 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3106 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1551 0.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1551 0.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7762 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7762 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2733 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2733 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7704 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7704 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7704 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7704 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2733 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2733 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7762 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7762 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2669 0.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2669 0.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0867 0.6091 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.0867 0.6091 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.9272 1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9272 1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4439 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4439 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9227 1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9227 1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7020 0.5768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7020 0.5768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0181 0.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0181 0.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0867 -1.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0867 -1.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0099 -1.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0099 -1.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2332 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2332 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3926 0.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3926 0.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2669 -0.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2669 -0.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2473 -0.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2473 -0.3923 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 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 18 1 0 0 0 0 | + | 22 18 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 3 24 1 0 0 0 0 | + | 3 24 1 0 0 0 0 |
| − | 7 25 2 0 0 0 0 | + | 7 25 2 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 18 27 1 4 0 0 0 | + | 18 27 1 4 0 0 0 |
| − | 2 28 1 0 0 0 0 | + | 2 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 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 28 29 | + | M SAL 1 2 28 29 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -2.2669 -0.5895 | + | M SVB 1 31 -2.2669 -0.5895 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FEANCN001 | + | ID FL3FEANCN001 |
| − | KNApSAcK_ID C00002354 | + | KNApSAcK_ID C00002354 |
| − | NAME Phyllospadine | + | NAME Phyllospadine |
| − | CAS_RN 76540-48-2 | + | CAS_RN 76540-48-2 |
| − | FORMULA C21H21NO6 | + | FORMULA C21H21NO6 |
| − | EXACTMASS 383.136887409 | + | EXACTMASS 383.136887409 |
| − | AVERAGEMASS 383.39457999999996 | + | AVERAGEMASS 383.39457999999996 |
| − | SMILES N(C4)(C)C([H])(CC4)c(c31)c(c(c(c(C(=O)C=C(O3)c(c2)ccc(O)c2)1)O)OC)O | + | SMILES N(C4)(C)C([H])(CC4)c(c31)c(c(c(c(C(=O)C=C(O3)c(c2)ccc(O)c2)1)O)OC)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 32 0 0 0 0 0 0 0 0999 V2000
-1.5525 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5525 -0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0867 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6209 -0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6209 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0867 0.0735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1551 -1.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3106 -0.7332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3106 -0.1954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1551 0.0735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7762 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2733 -0.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7704 0.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7704 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2733 0.9344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7762 0.6474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2669 0.9341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0867 0.6091 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.9272 1.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4439 1.5397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9227 1.1520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7020 0.5768 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.0181 0.0734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0867 -1.5397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0099 -1.3558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2332 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3926 0.6091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2669 -0.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2473 -0.3923 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
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
14 17 1 0 0 0 0
6 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 18 1 0 0 0 0
1 23 1 0 0 0 0
3 24 1 0 0 0 0
7 25 2 0 0 0 0
22 26 1 0 0 0 0
18 27 1 4 0 0 0
2 28 1 0 0 0 0
28 29 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 28 29
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -2.2669 -0.5895
S SKP 8
ID FL3FEANCN001
KNApSAcK_ID C00002354
NAME Phyllospadine
CAS_RN 76540-48-2
FORMULA C21H21NO6
EXACTMASS 383.136887409
AVERAGEMASS 383.39457999999996
SMILES N(C4)(C)C([H])(CC4)c(c31)c(c(c(c(C(=O)C=C(O3)c(c2)ccc(O)c2)1)O)OC)O
M END
