Mol:FL7DACGO0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9331 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9331 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9331 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9331 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3768 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3768 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1795 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1795 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1795 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1795 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3768 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3768 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7358 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7358 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2921 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2921 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2921 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2921 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7358 0.8382 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.7358 0.8382 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8482 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8482 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4152 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4152 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9822 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9822 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9822 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9822 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4152 1.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4152 1.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8482 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8482 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5490 1.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5490 1.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4892 0.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4892 0.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3768 -1.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3768 -1.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9725 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9725 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4569 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4569 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7144 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7144 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9979 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9979 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5185 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5185 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2770 -1.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2770 -1.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5490 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5490 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2607 -2.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2607 -2.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2889 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2889 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4152 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4152 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5725 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5725 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8581 -1.1094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8581 -1.1094 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 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 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 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 15 29 1 0 0 0 0 | + | 15 29 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 33 | + | M SBL 1 1 33 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 33 -5.2876 5.2225 | + | M SBV 1 33 -5.2876 5.2225 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7DACGS0001 | + | ID FL7DACGS0001 |
| − | KNApSAcK_ID C00006623 | + | KNApSAcK_ID C00006623 |
| − | NAME Luteolinidin 5-glucoside | + | NAME Luteolinidin 5-glucoside |
| − | CAS_RN 13089-93-5 | + | CAS_RN 13089-93-5 |
| − | FORMULA C21H21O10 | + | FORMULA C21H21O10 |
| − | EXACTMASS 433.113471892 | + | EXACTMASS 433.113471892 |
| − | AVERAGEMASS 433.38544 | + | AVERAGEMASS 433.38544 |
| − | SMILES C(C1Oc(c4)c(c(cc(O)4)3)ccc([o+1]3)c(c2)cc(c(O)c2)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c4)c(c(cc(O)4)3)ccc([o+1]3)c(c2)cc(c(O)c2)O)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-0.9331 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9331 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3768 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1795 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1795 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3768 0.8382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7358 -0.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2921 -0.1254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2921 0.5170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7358 0.8382 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.8482 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 0.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9822 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9822 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 1.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8482 1.4927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5490 1.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4892 0.8380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3768 -1.0887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9725 -1.3685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4569 -2.0491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7144 -1.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9979 -1.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5185 -1.2319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2770 -1.5043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5490 -1.7014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2607 -2.0883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2889 -2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4152 2.4746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5725 -0.6969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8581 -1.1094 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
15 29 1 0 0 0 0
25 30 1 0 0 0 0
30 31 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 33
M SMT 1 ^CH2OH
M SBV 1 33 -5.2876 5.2225
S SKP 8
ID FL7DACGS0001
KNApSAcK_ID C00006623
NAME Luteolinidin 5-glucoside
CAS_RN 13089-93-5
FORMULA C21H21O10
EXACTMASS 433.113471892
AVERAGEMASS 433.38544
SMILES C(C1Oc(c4)c(c(cc(O)4)3)ccc([o+1]3)c(c2)cc(c(O)c2)O)(O)C(O)C(O)C(O1)CO
M END
