Mol:FL1DA9NC0004
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0705 0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0705 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0705 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5165 -0.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5165 -0.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0375 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0375 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0375 0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0375 0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5165 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5165 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5912 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5912 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1437 -0.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1437 -0.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6951 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6951 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2452 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2452 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7836 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7836 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3220 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3220 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3220 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3220 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7836 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7836 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2452 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2452 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5912 -1.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5912 -1.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5165 -1.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5165 -1.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6242 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6242 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6242 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6242 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1780 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1780 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1780 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1780 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7500 0.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7500 0.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3220 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3220 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3220 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3220 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7500 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7500 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7500 -1.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7500 -1.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5165 1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5165 1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5912 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5912 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3057 0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3057 0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 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 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 5 28 1 0 0 0 0 | + | 5 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 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 30 -4.8233 3.4394 | + | M SBV 1 30 -4.8233 3.4394 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NC0004 | + | ID FL1DA9NC0004 |
| − | KNApSAcK_ID C00007963 | + | KNApSAcK_ID C00007963 |
| − | NAME Anguvetin | + | NAME Anguvetin |
| − | CAS_RN 83109-27-7 | + | CAS_RN 83109-27-7 |
| − | FORMULA C24H24O5 | + | FORMULA C24H24O5 |
| − | EXACTMASS 392.162373878 | + | EXACTMASS 392.162373878 |
| − | AVERAGEMASS 392.44436 | + | AVERAGEMASS 392.44436 |
| − | SMILES Oc(c3)c(ccc3)Cc(c1O)c(O)c(c(c1C(=O)CCc(c2)cccc2)OC)C | + | SMILES Oc(c3)c(ccc3)Cc(c1O)c(O)c(c(c1C(=O)CCc(c2)cccc2)OC)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.0705 0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0705 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -0.6242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0375 0.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 0.6552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1437 -0.3050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6951 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2452 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7836 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 -0.3057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3220 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7836 0.6268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2452 0.3159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 -1.2620 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 -1.2636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6242 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6242 -0.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1780 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1780 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 0.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 0.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3220 -0.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 -0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7500 -1.2946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5165 1.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5912 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3057 0.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 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
24 25 2 0 0 0 0
25 20 1 0 0 0 0
25 26 1 0 0 0 0
6 27 1 0 0 0 0
5 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 30
M SMT 1 OCH3
M SBV 1 30 -4.8233 3.4394
S SKP 8
ID FL1DA9NC0004
KNApSAcK_ID C00007963
NAME Anguvetin
CAS_RN 83109-27-7
FORMULA C24H24O5
EXACTMASS 392.162373878
AVERAGEMASS 392.44436
SMILES Oc(c3)c(ccc3)Cc(c1O)c(O)c(c(c1C(=O)CCc(c2)cccc2)OC)C
M END
