Mol:FL2FEAGS0001
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9563 1.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9563 1.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9563 0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9563 0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4000 0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4000 0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8437 0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8437 0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8437 1.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8437 1.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4000 1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4000 1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2874 0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2874 0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2689 0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2689 0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2689 1.4847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.2689 1.4847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.2874 1.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2874 1.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8250 1.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8250 1.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3919 1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3919 1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9589 1.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9589 1.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9589 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9589 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3919 2.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3919 2.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8250 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8250 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2874 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2874 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5479 1.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5479 1.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5479 2.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5479 2.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4000 -0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4000 -0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5124 0.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5124 0.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3903 -2.2867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -1.3903 -2.2867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.9003 -1.9155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -0.9003 -1.9155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1082 -1.3810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1082 -1.3810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.1138 -0.8652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.1138 -0.8652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.4886 -1.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4886 -1.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2418 -1.7076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.2418 -1.7076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.4420 -2.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4420 -2.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4390 -2.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4390 -2.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5941 -1.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5941 -1.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6403 -1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6403 -1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1676 -2.5446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1676 -2.5446 0.0000 O 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 0 0 0 0 | + | 9 11 1 0 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 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 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 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 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 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 34 -1.6403 -1.6949 | + | M SVB 1 34 -1.6403 -1.6949 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FEAGS0001 | + | ID FL2FEAGS0001 |
| − | KNApSAcK_ID C00008231 | + | KNApSAcK_ID C00008231 |
| − | NAME Carthamidin 5-glucoside | + | NAME Carthamidin 5-glucoside |
| − | CAS_RN 519-39-1 | + | CAS_RN 519-39-1 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES [C@@H]([C@@H]1Oc(c42)c(O)c(O)cc2OC(CC4=O)c(c3)ccc(O)c3)(O)[C@@H](O)[C@@H](O)C(O1)CO | + | SMILES [C@@H]([C@@H]1Oc(c42)c(O)c(O)cc2OC(CC4=O)c(c3)ccc(O)c3)(O)[C@@H](O)[C@@H](O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.9563 1.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9563 0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4000 0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8437 0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8437 1.4847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4000 1.8058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2874 0.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2689 0.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2689 1.4847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.2874 1.8058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 1.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 1.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9589 1.8057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9589 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3919 2.7878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8250 2.4604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2874 -0.0227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5479 1.8262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5479 2.8005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4000 -0.1210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5124 0.5212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3903 -2.2867 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.9003 -1.9155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1082 -1.3810 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.1138 -0.8652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.4886 -1.2400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2418 -1.7076 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.4420 -2.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4390 -2.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5941 -1.0747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6403 -1.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1676 -2.5446 0.0000 O 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 0 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
7 17 2 0 0 0 0
18 1 1 0 0 0 0
14 19 1 0 0 0 0
3 20 1 0 0 0 0
2 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 20 1 0 0 0 0
27 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 34
M SMT 1 CH2OH
M SVB 1 34 -1.6403 -1.6949
S SKP 8
ID FL2FEAGS0001
KNApSAcK_ID C00008231
NAME Carthamidin 5-glucoside
CAS_RN 519-39-1
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES [C@@H]([C@@H]1Oc(c42)c(O)c(O)cc2OC(CC4=O)c(c3)ccc(O)c3)(O)[C@@H](O)[C@@H](O)C(O1)CO
M END
