Mol:FL2FALNI0019
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 35 0 0 0 0 0 0 0 0999 V2000 | + | 33 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0472 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0472 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5263 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5263 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0054 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0054 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0054 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0054 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5263 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5263 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0472 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0472 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5155 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5155 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0364 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0364 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0364 -0.3006 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.0364 -0.3006 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.5155 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5155 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5567 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5567 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5155 -1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5155 -1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0911 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0911 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6255 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6255 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6255 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6255 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0911 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0911 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5567 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5567 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5263 -1.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5263 -1.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5263 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5263 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0472 0.9023 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.0472 0.9023 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.5680 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5680 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5680 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5680 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1598 0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1598 0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0415 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0415 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5142 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5142 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9858 0.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9858 0.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5142 0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5142 0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1598 0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1598 0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0472 1.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0472 1.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5675 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5675 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5268 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5268 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1995 1.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1995 1.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6995 2.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6995 2.1016 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 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 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 21 24 2 0 0 0 0 | + | 21 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 20 29 1 0 0 0 0 | + | 20 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 29 31 2 0 0 0 0 | + | 29 31 2 0 0 0 0 |
| − | 17 32 1 0 0 0 0 | + | 17 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 1.1995 1.2356 | + | M SVB 1 34 1.1995 1.2356 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0019 | + | ID FL2FALNI0019 |
| − | KNApSAcK_ID C00008521 | + | KNApSAcK_ID C00008521 |
| − | NAME Leachianone D | + | NAME Leachianone D |
| − | CAS_RN 140614-59-1 | + | CAS_RN 140614-59-1 |
| − | FORMULA C26H30O7 | + | FORMULA C26H30O7 |
| − | EXACTMASS 454.199153314 | + | EXACTMASS 454.199153314 |
| − | AVERAGEMASS 454.5122 | + | AVERAGEMASS 454.5122 |
| − | SMILES c(c3)(OC)c(ccc3O)C(O1)CC(c(c2O)c1c(c(O)c2)CC(C=CC(C)(C)O)C(C)=C)=O | + | SMILES c(c3)(OC)c(ccc3O)C(O1)CC(c(c2O)c1c(c(O)c2)CC(C=CC(C)(C)O)C(C)=C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 35 0 0 0 0 0 0 0 0999 V2000
-1.0472 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5263 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0054 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0054 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5263 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0472 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5155 -1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0364 -0.9020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0364 -0.3006 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.5155 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5567 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5155 -1.7267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0911 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6255 -0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6255 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0911 0.9254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5567 0.6169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5263 -1.8037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5263 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0472 0.9023 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.5680 0.6016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5680 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1598 0.9254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0415 0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5142 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9858 0.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5142 0.0575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1598 0.4290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0472 1.5032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5675 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5268 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1995 1.2356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6995 2.1016 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
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
22 6 1 0 0 0 0
15 23 1 0 0 0 0
21 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
20 29 1 0 0 0 0
29 30 1 0 0 0 0
29 31 2 0 0 0 0
17 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 1.1995 1.2356
S SKP 8
ID FL2FALNI0019
KNApSAcK_ID C00008521
NAME Leachianone D
CAS_RN 140614-59-1
FORMULA C26H30O7
EXACTMASS 454.199153314
AVERAGEMASS 454.5122
SMILES c(c3)(OC)c(ccc3O)C(O1)CC(c(c2O)c1c(c(O)c2)CC(C=CC(C)(C)O)C(C)=C)=O
M END
