Mol:FL7DACGO0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | -0.4381 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4381 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4381 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4381 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1182 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1182 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6745 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6745 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6745 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6745 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1182 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1182 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2308 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2308 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7871 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7871 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7871 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7871 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2308 0.1452 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 1.2308 0.1452 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3432 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3432 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9102 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9102 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4772 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4772 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4772 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4772 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9102 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9102 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3432 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3432 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0440 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0440 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9942 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9942 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1182 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1182 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9102 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9102 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4675 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4675 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9519 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9519 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2094 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2094 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4929 -0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4929 -0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0135 -0.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0135 -0.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7720 -0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7720 -0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0440 -0.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0440 -0.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7557 -0.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7557 -0.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7839 -1.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7839 -1.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0675 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0675 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3531 -0.0079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3531 -0.0079 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 |
| − | 15 20 1 0 0 0 0 | + | 15 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 |
| − | 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 |
| − | 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 -4.7926 4.5296 | + | M SBV 1 33 -4.7926 4.5296 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7DACGS0002 | + | ID FL7DACGS0002 |
| − | KNApSAcK_ID C00006624 | + | KNApSAcK_ID C00006624 |
| − | NAME Luteolinidin 7-glucoside | + | NAME Luteolinidin 7-glucoside |
| − | CAS_RN 53948-05-3 | + | CAS_RN 53948-05-3 |
| − | FORMULA C21H21O10 | + | FORMULA C21H21O10 |
| − | EXACTMASS 433.113471892 | + | EXACTMASS 433.113471892 |
| − | AVERAGEMASS 433.38544 | + | AVERAGEMASS 433.38544 |
| − | SMILES c(c4)([o+1]c(c(c4)3)cc(cc3O)OC(O2)C(O)C(O)C(O)C2CO)c(c1)cc(c(O)c1)O | + | SMILES c(c4)([o+1]c(c(c4)3)cc(cc3O)OC(O2)C(O)C(O)C(O)C2CO)c(c1)cc(c(O)c1)O |
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
-0.4381 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4381 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1182 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6745 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1182 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2308 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7871 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7871 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2308 0.1452 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.3432 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9102 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4772 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4772 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9102 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3432 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0440 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9942 0.1451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1182 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9102 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4675 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9519 -0.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2094 -0.6590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4929 -0.6512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0135 -0.1305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7720 -0.4028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0440 -0.5999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7557 -0.9868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7839 -1.3731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0675 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3531 -0.0079 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
15 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
26 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 -4.7926 4.5296
S SKP 8
ID FL7DACGS0002
KNApSAcK_ID C00006624
NAME Luteolinidin 7-glucoside
CAS_RN 53948-05-3
FORMULA C21H21O10
EXACTMASS 433.113471892
AVERAGEMASS 433.38544
SMILES c(c4)([o+1]c(c(c4)3)cc(cc3O)OC(O2)C(O)C(O)C(O)C2CO)c(c1)cc(c(O)c1)O
M END
