Mol:FL5FDDNF0002
From Metabolomics.JP
(Difference between revisions)
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| − | 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 |
| − | -1.2652 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2652 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2652 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2652 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1526 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1526 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1526 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1526 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9600 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9600 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9600 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9600 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4037 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4037 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5161 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5161 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0831 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0831 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6501 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6501 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6501 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6501 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0831 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0831 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5161 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5161 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6501 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6501 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8761 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8761 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2537 -0.4925 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.2537 -0.4925 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -1.8761 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8761 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8958 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8958 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2169 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2169 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2169 0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2169 0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1453 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1453 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4308 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4308 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8260 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8260 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6920 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6920 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3665 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3665 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8079 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8079 2.6052 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 2 0 0 0 0 | + | 22 24 2 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 8 27 1 0 0 0 0 | + | 8 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 29 30 | + | M SAL 3 2 29 30 |
| − | M SBL 3 1 32 | + | M SBL 3 1 32 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 32 2.3665 1.7079 | + | M SVB 3 32 2.3665 1.7079 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 27 28 | + | M SAL 2 2 27 28 |
| − | M SBL 2 1 30 | + | M SBL 2 1 30 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 30 1.1589 -1.0199 | + | M SVB 2 30 1.1589 -1.0199 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 28 | + | M SBL 1 1 28 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 28 -1.1453 -1.2954 | + | M SVB 1 28 -1.1453 -1.2954 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDDNF0002 | + | ID FL5FDDNF0002 |
| − | KNApSAcK_ID C00005103 | + | KNApSAcK_ID C00005103 |
| − | NAME Velloquercetin 3,5,3'-trimethyl ether | + | NAME Velloquercetin 3,5,3'-trimethyl ether |
| − | CAS_RN 148335-03-9 | + | CAS_RN 148335-03-9 |
| − | FORMULA C23H22O7 | + | FORMULA C23H22O7 |
| − | EXACTMASS 410.136553058 | + | EXACTMASS 410.136553058 |
| − | AVERAGEMASS 410.41658000000007 | + | AVERAGEMASS 410.41658000000007 |
| − | SMILES c(c4)(cc(OC)c(O)c4)C(O1)=C(C(=O)c(c3OC)c(cc(c32)OC(C(C)=C)C2)1)OC | + | SMILES c(c4)(cc(OC)c(O)c4)C(O1)=C(C(=O)c(c3OC)c(cc(c32)OC(C(C)=C)C2)1)OC |
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
-1.2652 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2652 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1526 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9600 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4037 -1.6357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6501 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0831 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5161 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6501 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8761 0.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2537 -0.4925 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-1.8761 -1.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8958 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 -1.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2169 0.0636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1453 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4308 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8260 -1.3137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6920 -1.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3665 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8079 2.6052 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
15 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 2 1 0 0 0 0
20 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 2 0 0 0 0
3 25 1 0 0 0 0
25 26 1 0 0 0 0
8 27 1 0 0 0 0
27 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 29 30
M SBL 3 1 32
M SMT 3 OCH3
M SVB 3 32 2.3665 1.7079
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 27 28
M SBL 2 1 30
M SMT 2 OCH3
M SVB 2 30 1.1589 -1.0199
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 28
M SMT 1 OCH3
M SVB 1 28 -1.1453 -1.2954
S SKP 8
ID FL5FDDNF0002
KNApSAcK_ID C00005103
NAME Velloquercetin 3,5,3'-trimethyl ether
CAS_RN 148335-03-9
FORMULA C23H22O7
EXACTMASS 410.136553058
AVERAGEMASS 410.41658000000007
SMILES c(c4)(cc(OC)c(O)c4)C(O1)=C(C(=O)c(c3OC)c(cc(c32)OC(C(C)=C)C2)1)OC
M END
