Mol:FL7DAAGO0002
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4793 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4793 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4793 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4793 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0770 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0770 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6333 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6333 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6333 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6333 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0770 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0770 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1896 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1896 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7459 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7459 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7459 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7459 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1896 0.4725 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 1.1896 0.4725 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3020 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3020 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8690 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8690 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4359 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4359 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4359 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4359 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8690 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8690 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0027 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0027 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0354 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0354 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0770 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0770 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4262 0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4262 0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9106 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9106 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1681 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1681 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4517 -0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4517 -0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9723 0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9723 0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7307 0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7307 0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0027 -0.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0027 -0.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7144 -0.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7144 -0.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7427 -0.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7427 -0.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0263 0.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0263 0.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3118 0.4843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3118 0.4843 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 18 1 0 0 0 0 | + | 23 18 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 32 -4.8339 4.8568 | + | M SBV 1 32 -4.8339 4.8568 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7DAAGS0002 | + | ID FL7DAAGS0002 |
| − | KNApSAcK_ID C00006621 | + | KNApSAcK_ID C00006621 |
| − | NAME Apigeninidin 7-glucoside | + | NAME Apigeninidin 7-glucoside |
| − | CAS_RN 53948-06-4 | + | CAS_RN 53948-06-4 |
| − | FORMULA C21H21O9 | + | FORMULA C21H21O9 |
| − | EXACTMASS 417.11855727 | + | EXACTMASS 417.11855727 |
| − | AVERAGEMASS 417.38604 | + | AVERAGEMASS 417.38604 |
| − | SMILES Oc(c4)ccc(c4)c(c3)[o+1]c(c(c3)2)cc(cc2O)OC(O1)C(O)C(O)C(O)C1CO | + | SMILES Oc(c4)ccc(c4)c(c3)[o+1]c(c(c3)2)cc(cc2O)OC(O1)C(O)C(O)C(O)C1CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-0.4793 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4793 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0770 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6333 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6333 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0770 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1896 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7459 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7459 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1896 0.4725 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
2.3020 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8690 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4359 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4359 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8690 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3020 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0027 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0354 0.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0770 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4262 0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9106 -0.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1681 -0.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4517 -0.1590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9723 0.3618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7307 0.0894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0027 -0.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7144 -0.4946 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7427 -0.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0263 0.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3118 0.4843 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 18 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 ^CH2OH
M SBV 1 32 -4.8339 4.8568
S SKP 8
ID FL7DAAGS0002
KNApSAcK_ID C00006621
NAME Apigeninidin 7-glucoside
CAS_RN 53948-06-4
FORMULA C21H21O9
EXACTMASS 417.11855727
AVERAGEMASS 417.38604
SMILES Oc(c4)ccc(c4)c(c3)[o+1]c(c(c3)2)cc(cc2O)OC(O1)C(O)C(O)C(O)C1CO
M END
