Mol:FL1C3CGS0013
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.3909 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3909 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3909 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3909 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8369 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8369 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2829 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2829 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2829 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2829 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8369 1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8369 1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2708 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2708 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8234 0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8234 0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3747 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3747 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9248 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9248 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4632 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4632 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0016 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0016 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0016 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0016 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4632 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4632 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9248 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9248 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2708 -0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2708 -0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8369 -0.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8369 -0.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9446 1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9446 1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8758 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8758 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5398 -0.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5398 -0.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8672 -0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8672 -0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5209 -0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5209 -0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0223 -0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0223 -0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5027 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5027 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8908 -0.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8908 -0.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4002 -0.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4002 -0.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2543 -0.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2543 -0.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0607 -0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0607 -0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7367 -1.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7367 -1.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4472 -0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4472 -0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2441 0.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2441 0.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5398 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5398 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2543 0.6886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2543 0.6886 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 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 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 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 13 32 1 0 0 0 0 | + | 13 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 32 -9.2507 5.4364 | + | M SBV 1 32 -9.2507 5.4364 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 32 33 | + | M SAL 2 2 32 33 |
| − | M SBL 2 1 34 | + | M SBL 2 1 34 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SBV 2 34 -8.6654 5.3487 | + | M SBV 2 34 -8.6654 5.3487 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0013 | + | ID FL1C3CGS0013 |
| − | KNApSAcK_ID C00007904 | + | KNApSAcK_ID C00007904 |
| − | NAME Okanin 4-methyl ether 3'-glucoside | + | NAME Okanin 4-methyl ether 3'-glucoside |
| − | CAS_RN 119227-96-2 | + | CAS_RN 119227-96-2 |
| − | FORMULA C22H24O11 | + | FORMULA C22H24O11 |
| − | EXACTMASS 464.13186161 | + | EXACTMASS 464.13186161 |
| − | AVERAGEMASS 464.41936000000004 | + | AVERAGEMASS 464.41936000000004 |
| − | SMILES c(c1)(c(ccc1C=CC(=O)c(c3)c(O)c(c(O)c3)OC(O2)C(O)C(C(C(CO)2)O)O)OC)O | + | SMILES c(c1)(c(ccc1C=CC(=O)c(c3)c(O)c(c(O)c3)OC(O2)C(O)C(C(C(CO)2)O)O)OC)O |
M END | M END | ||
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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
-1.3909 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3909 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8369 -0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2829 0.1701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2829 0.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8369 1.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2708 -0.1496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8234 0.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3747 -0.1489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9248 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4632 -0.1421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0016 0.1687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0016 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4632 1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9248 0.7904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2708 -0.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8369 -0.7891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9446 1.1295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8758 -0.2003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5398 -0.1420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8672 -0.3869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5209 -0.8440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0223 -0.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5027 -0.6558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8908 -0.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4002 -0.4781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2543 -0.6105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0607 -0.8703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7367 -1.1297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4472 -0.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2441 0.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5398 1.1011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2543 0.6886 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 2 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
19 2 1 0 0 0 0
12 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 19 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
13 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 30 31
M SBL 1 1 32
M SMT 1 ^CH2OH
M SBV 1 32 -9.2507 5.4364
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 34
M SMT 2 OCH3
M SBV 2 34 -8.6654 5.3487
S SKP 8
ID FL1C3CGS0013
KNApSAcK_ID C00007904
NAME Okanin 4-methyl ether 3'-glucoside
CAS_RN 119227-96-2
FORMULA C22H24O11
EXACTMASS 464.13186161
AVERAGEMASS 464.41936000000004
SMILES c(c1)(c(ccc1C=CC(=O)c(c3)c(O)c(c(O)c3)OC(O2)C(O)C(C(C(CO)2)O)O)OC)O
M END
