Mol:FL1C3CGS0015
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 |
| − | -1.3393 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3393 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3393 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3393 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7853 -0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7853 -0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2313 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2313 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2313 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2313 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7853 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7853 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3224 -0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3224 -0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8749 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8749 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4263 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4263 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9764 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9764 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5148 -0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5148 -0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0532 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0532 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0532 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0532 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5148 0.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5148 0.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9764 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9764 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3224 -1.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3224 -1.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7853 -1.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7853 -1.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8930 0.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8930 0.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8242 -0.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8242 -0.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5914 -0.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5914 -0.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9187 0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9187 0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5725 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5725 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0739 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0739 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5542 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5542 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9424 0.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9424 0.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4517 0.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4517 0.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3059 0.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3059 0.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1123 0.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1123 0.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7882 -0.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7882 -0.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5914 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5914 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3059 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3059 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4988 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4988 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2956 1.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2956 1.1731 0.0000 O 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 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 26 32 1 0 0 0 0 | + | 26 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 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 32 -8.6138 4.9648 | + | M SBV 1 32 -8.6138 4.9648 |
| − | 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 ^CH2OH | + | M SMT 2 ^CH2OH |
| − | M SBV 2 34 -9.1991 5.0524 | + | M SBV 2 34 -9.1991 5.0524 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C3CGS0015 | + | ID FL1C3CGS0015 |
| − | KNApSAcK_ID C00007906 | + | KNApSAcK_ID C00007906 |
| − | NAME Okanin 4-methyl ether 4'-glucoside | + | NAME Okanin 4-methyl ether 4'-glucoside |
| − | CAS_RN 94285-20-8 | + | CAS_RN 94285-20-8 |
| − | FORMULA C22H24O11 | + | FORMULA C22H24O11 |
| − | EXACTMASS 464.13186161 | + | EXACTMASS 464.13186161 |
| − | AVERAGEMASS 464.41936000000004 | + | AVERAGEMASS 464.41936000000004 |
| − | SMILES c(c1)(c(ccc1C=CC(=O)c(c2)c(c(O)c(OC(C(O)3)OC(CO)C(C3O)O)c2)O)OC)O | + | SMILES c(c1)(c(ccc1C=CC(=O)c(c2)c(c(O)c(OC(C(O)3)OC(CO)C(C3O)O)c2)O)OC)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
-1.3393 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3393 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7853 -0.5337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2313 -0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2313 0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7853 0.7457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3224 -0.5335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8749 -0.2145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4263 -0.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9764 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5148 -0.5260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0532 -0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0532 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5148 0.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9764 0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3224 -1.1715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7853 -1.1731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8930 0.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8242 -0.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5914 -0.5260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9187 0.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5725 0.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0739 0.3891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5542 0.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9424 0.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4517 0.5611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3059 0.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1123 0.1689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 -0.0905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5914 0.7172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3059 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4988 0.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2956 1.1731 0.0000 O 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 18 1 0 0 0 0
13 30 1 0 0 0 0
30 31 1 0 0 0 0
26 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 OCH3
M SBV 1 32 -8.6138 4.9648
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 34
M SMT 2 ^CH2OH
M SBV 2 34 -9.1991 5.0524
S SKP 8
ID FL1C3CGS0015
KNApSAcK_ID C00007906
NAME Okanin 4-methyl ether 4'-glucoside
CAS_RN 94285-20-8
FORMULA C22H24O11
EXACTMASS 464.13186161
AVERAGEMASS 464.41936000000004
SMILES c(c1)(c(ccc1C=CC(=O)c(c2)c(c(O)c(OC(C(O)3)OC(CO)C(C3O)O)c2)O)OC)O
M END
