Mol:FL64RNNP0001
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 32 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0421 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0421 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0421 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0421 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4858 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4858 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0705 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0705 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0705 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0705 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4858 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4858 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6268 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6268 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1831 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1831 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1831 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1831 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6268 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6268 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6268 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6268 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4858 0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4858 0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0421 0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0421 0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5984 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5984 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0421 1.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0421 1.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5970 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5970 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4872 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4872 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1547 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1547 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1547 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1547 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5984 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5984 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6409 0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6409 0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7924 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7924 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2650 -1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2650 -1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7699 -0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7699 -0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7699 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7699 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2811 -1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2811 -1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7924 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7924 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7924 -0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7924 -0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2811 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2811 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2811 0.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2811 0.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9223 -1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9223 -1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2078 -1.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2078 -1.8574 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 1 0 0 0 | + | 7 8 1 1 0 0 0 |
| − | 9 8 1 1 0 0 0 | + | 9 8 1 1 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 |
| − | 7 11 1 0 0 0 0 | + | 7 11 1 0 0 0 0 |
| − | 6 12 1 0 0 0 0 | + | 6 12 1 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 14 1 1 0 0 0 0 | + | 14 1 1 0 0 0 0 |
| − | 13 15 2 0 0 0 0 | + | 13 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 15 17 1 0 0 0 0 | + | 15 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 18 22 1 0 0 0 0 | + | 18 22 1 0 0 0 0 |
| − | 7 23 1 0 0 0 0 | + | 7 23 1 0 0 0 0 |
| − | 9 24 1 0 0 0 0 | + | 9 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 23 1 0 0 0 0 | + | 25 23 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 24 1 0 0 0 0 | + | 29 24 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 3 31 1 0 0 0 0 | + | 3 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 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -8.2394 3.7468 | + | M SBV 1 35 -8.2394 3.7468 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL64RNNP0001 | + | ID FL64RNNP0001 |
| − | KNApSAcK_ID C00008988 | + | KNApSAcK_ID C00008988 |
| − | NAME 4,6'-Epoxyorotiniflavan-4-ol | + | NAME 4,6'-Epoxyorotiniflavan-4-ol |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES COc(c54)c(c3c(CC=C(C)C)c4OC(C)(C)C=C5)C(O1)(O)CC(O3)c(c2O)c1ccc2 | + | SMILES COc(c54)c(c3c(CC=C(C)C)c4OC(C)(C)C=C5)C(O1)(O)CC(O3)c(c2O)c1ccc2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-1.0421 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0421 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4858 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0705 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0705 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4858 0.0004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6268 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1831 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1831 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6268 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6268 -1.9264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4858 0.6428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0421 0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5984 0.0004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0421 1.6061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5970 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4872 1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1547 -0.3208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1547 -0.9631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5984 -1.2843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6409 0.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7924 -0.4916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2650 -1.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7699 -0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7699 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2811 -1.5451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7924 -1.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7924 -0.6596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2811 -0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2811 0.2255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9223 -1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2078 -1.8574 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 1 0 0 0
9 8 1 1 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 1 0 0 0 0
6 12 1 0 0 0 0
12 13 1 0 0 0 0
14 1 1 0 0 0 0
13 15 2 0 0 0 0
15 16 1 0 0 0 0
15 17 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
18 21 1 0 0 0 0
18 22 1 0 0 0 0
7 23 1 0 0 0 0
9 24 1 0 0 0 0
24 25 2 0 0 0 0
25 23 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 24 1 0 0 0 0
29 30 1 0 0 0 0
3 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 35
M SMT 1 OCH3
M SBV 1 35 -8.2394 3.7468
S SKP 8
ID FL64RNNP0001
KNApSAcK_ID C00008988
NAME 4,6'-Epoxyorotiniflavan-4-ol
CAS_RN -
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES COc(c54)c(c3c(CC=C(C)C)c4OC(C)(C)C=C5)C(O1)(O)CC(O3)c(c2O)c1ccc2
M END
