Mol:FL5FAENF0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 28 31 0 0 0 0 0 0 0 0999 V2000 | + | 28 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6224 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6224 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6224 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6224 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0661 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0661 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5098 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5098 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5098 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5098 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0661 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0661 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0465 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0465 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6028 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6028 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6028 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6028 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0465 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0465 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0465 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0465 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1589 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1589 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7259 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7259 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2928 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2928 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2928 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2928 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7259 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7259 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1589 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1589 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1589 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1589 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0661 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0661 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2334 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2334 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6109 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6109 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2334 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2334 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2530 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2530 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5741 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5741 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5741 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5741 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7259 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7259 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8596 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8596 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5741 0.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5741 0.7145 0.0000 C 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 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 2 0 0 0 0 | + | 23 25 2 0 0 0 0 |
| − | 16 26 1 0 0 0 0 | + | 16 26 1 0 0 0 0 |
| − | 15 27 1 0 0 0 0 | + | 15 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 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 27 28 | + | M SAL 1 2 27 28 |
| − | M SBL 1 1 30 | + | M SBL 1 1 30 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 30 -7.5277 4.3175 | + | M SBV 1 30 -7.5277 4.3175 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAENF0001 | + | ID FL5FAENF0001 |
| − | KNApSAcK_ID C00005101 | + | KNApSAcK_ID C00005101 |
| − | NAME Velloquercetin 4'-methyl ether | + | NAME Velloquercetin 4'-methyl ether |
| − | CAS_RN 139955-64-9 | + | CAS_RN 139955-64-9 |
| − | FORMULA C21H18O7 | + | FORMULA C21H18O7 |
| − | EXACTMASS 382.10525293 | + | EXACTMASS 382.10525293 |
| − | AVERAGEMASS 382.36342 | + | AVERAGEMASS 382.36342 |
| − | SMILES O(C(c(c4)cc(O)c(OC)c4)=3)c(c(C(C(O)3)=O)2)cc(O1)c(c2O)CC1C(C)=C | + | SMILES O(C(c(c4)cc(O)c(OC)c4)=3)c(c(C(C(O)3)=O)2)cc(O1)c(c2O)CC1C(C)=C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
28 31 0 0 0 0 0 0 0 0999 V2000
-1.6224 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6224 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5098 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5098 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 0.1452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0465 -1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6028 -0.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6028 -0.1760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0465 0.1452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0465 -1.6403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1589 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7259 -0.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2928 0.1451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2928 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7259 1.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1589 0.7998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1589 -1.1394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 -1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2334 0.0225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6109 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2334 -1.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2530 -0.4971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5741 -1.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5741 0.0590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7259 1.7816 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8596 1.1270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5741 0.7145 0.0000 C 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
3 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 2 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 2 0 0 0 0
16 26 1 0 0 0 0
15 27 1 0 0 0 0
27 28 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 27 28
M SBL 1 1 30
M SMT 1 OCH3
M SBV 1 30 -7.5277 4.3175
S SKP 8
ID FL5FAENF0001
KNApSAcK_ID C00005101
NAME Velloquercetin 4'-methyl ether
CAS_RN 139955-64-9
FORMULA C21H18O7
EXACTMASS 382.10525293
AVERAGEMASS 382.36342
SMILES O(C(c(c4)cc(O)c(OC)c4)=3)c(c(C(C(O)3)=O)2)cc(O1)c(c2O)CC1C(C)=C
M END
