Mol:FL64A9NF0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3687 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3687 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3687 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3687 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8124 -1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8124 -1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2561 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2561 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2561 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2561 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8124 0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8124 0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3002 -1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3002 -1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8565 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8565 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8565 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8565 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3002 0.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3002 0.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4126 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4126 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9796 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9796 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5466 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5466 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5466 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5466 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9796 1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9796 1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4126 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4126 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9459 0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9459 0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5848 0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5848 0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8460 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8460 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9058 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9058 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5466 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5466 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5855 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5855 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2488 -1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2488 -1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5343 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5343 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1362 -1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1362 -1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5783 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5783 -1.8321 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 6 17 1 0 0 0 0 | + | 6 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 1 1 0 0 0 0 | + | 19 1 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 20 22 2 0 0 0 0 | + | 20 22 2 0 0 0 0 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 7 25 1 1 0 0 0 | + | 7 25 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 23 24 | + | M SAL 1 2 23 24 |
| − | M SBL 1 1 26 | + | M SBL 1 1 26 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 26 -8.5660 3.7721 | + | M SBV 1 26 -8.5660 3.7721 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 25 26 | + | M SAL 2 2 25 26 |
| − | M SBL 2 1 28 | + | M SBL 2 1 28 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 28 -8.5660 3.7721 | + | M SBV 2 28 -8.5660 3.7721 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL64A9NF0002 | + | ID FL64A9NF0002 |
| − | KNApSAcK_ID C00008985 | + | KNApSAcK_ID C00008985 |
| − | NAME Methylhildgardtol A | + | NAME Methylhildgardtol A |
| − | CAS_RN 104777-97-1 | + | CAS_RN 104777-97-1 |
| − | FORMULA C22H24O4 | + | FORMULA C22H24O4 |
| − | EXACTMASS 352.167459256 | + | EXACTMASS 352.167459256 |
| − | AVERAGEMASS 352.42356 | + | AVERAGEMASS 352.42356 |
| − | SMILES C(C)(=C)C(C1)Oc(c2)c1c(O3)c(C(CC3c(c4)cccc4)OC)c2OC | + | SMILES C(C)(=C)C(C1)Oc(c2)c1c(O3)c(C(CC3c(c4)cccc4)OC)c2OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.3687 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3687 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8124 -1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2561 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8124 0.0256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3002 -1.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8565 -0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8565 -0.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3002 0.0256 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 -0.3018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5466 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5466 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9796 1.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4126 0.6802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9459 0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5848 0.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8460 0.1343 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9058 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5466 1.2772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5855 1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2488 -1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5343 -1.8321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1362 -1.4196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5783 -1.8321 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 6 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
6 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 1 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
20 22 2 0 0 0 0
3 23 1 0 0 0 0
23 24 1 0 0 0 0
7 25 1 1 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 23 24
M SBL 1 1 26
M SMT 1 OCH3
M SBV 1 26 -8.5660 3.7721
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 25 26
M SBL 2 1 28
M SMT 2 OCH3
M SBV 2 28 -8.5660 3.7721
S SKP 8
ID FL64A9NF0002
KNApSAcK_ID C00008985
NAME Methylhildgardtol A
CAS_RN 104777-97-1
FORMULA C22H24O4
EXACTMASS 352.167459256
AVERAGEMASS 352.42356
SMILES C(C)(=C)C(C1)Oc(c2)c1c(O3)c(C(CC3c(c4)cccc4)OC)c2OC
M END
