Mol:FL5FACNF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 27 30 0 0 0 0 0 0 0 0999 V2000 | + | 27 30 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.2652 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2652 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2652 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2652 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1526 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1526 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1526 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1526 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9600 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9600 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9600 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9600 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5161 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5161 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0831 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0831 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6501 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6501 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6501 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6501 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0831 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0831 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5161 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5161 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5161 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5161 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2169 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2169 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8761 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8761 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2537 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2537 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8761 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8761 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8958 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8958 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2169 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2169 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2169 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2169 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0831 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0831 1.7816 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 26 2 0 0 0 0 | + | 24 26 2 0 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNF0001 | + | ID FL5FACNF0001 |
| − | KNApSAcK_ID C00005099 | + | KNApSAcK_ID C00005099 |
| − | NAME Velloquercetin | + | NAME Velloquercetin |
| − | CAS_RN 139955-63-8 | + | CAS_RN 139955-63-8 |
| − | FORMULA C20H16O7 | + | FORMULA C20H16O7 |
| − | EXACTMASS 368.089602866 | + | EXACTMASS 368.089602866 |
| − | AVERAGEMASS 368.33684000000005 | + | AVERAGEMASS 368.33684000000005 |
| − | SMILES O(C(c(c4)cc(c(O)c4)O)=3)c(c(C(C(O)3)=O)2)cc(O1)c(c2O)CC1C(C)=C | + | SMILES O(C(c(c4)cc(c(O)c4)O)=3)c(c(C(C(O)3)=O)2)cc(O1)c(c2O)CC1C(C)=C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
27 30 0 0 0 0 0 0 0 0999 V2000
-1.2652 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2169 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8761 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8761 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 1.7816 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
8 18 1 0 0 0 0
15 19 1 0 0 0 0
3 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 2 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
24 26 2 0 0 0 0
16 27 1 0 0 0 0
S SKP 8
ID FL5FACNF0001
KNApSAcK_ID C00005099
NAME Velloquercetin
CAS_RN 139955-63-8
FORMULA C20H16O7
EXACTMASS 368.089602866
AVERAGEMASS 368.33684000000005
SMILES O(C(c(c4)cc(c(O)c4)O)=3)c(c(C(C(O)3)=O)2)cc(O1)c(c2O)CC1C(C)=C
M END
