Mol:FL5FDFNF0001
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 |
| − | -1.6224 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6224 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6224 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6224 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0661 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0661 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5098 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5098 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5098 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5098 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0661 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0661 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0465 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0465 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6028 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6028 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6028 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6028 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0465 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0465 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0465 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0465 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1589 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1589 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7259 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7259 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2928 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2928 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2928 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2928 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7259 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7259 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1589 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1589 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0661 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0661 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2334 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2334 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6109 -0.4580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.6109 -0.4580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.2334 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2334 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2530 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2530 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5741 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5741 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5741 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5741 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2928 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2928 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2928 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2928 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0093 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0093 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4507 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4507 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4688 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4688 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3349 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3349 -1.7790 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 |
| − | 3 18 1 0 0 0 0 | + | 3 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 |
| − | 15 25 1 0 0 0 0 | + | 15 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 16 27 1 0 0 0 0 | + | 16 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 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 0.8016 -0.9854 | + | M SVB 3 32 0.8016 -0.9854 |
| − | 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 2.0093 1.7424 | + | M SVB 2 30 2.0093 1.7424 |
| − | 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 2.8596 1.1662 | + | M SVB 1 28 2.8596 1.1662 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDFNF0001 | + | ID FL5FDFNF0001 |
| − | KNApSAcK_ID C00005104 | + | KNApSAcK_ID C00005104 |
| − | NAME Velloquercetin 3,3',4'-trimethyl ether | + | NAME Velloquercetin 3,3',4'-trimethyl ether |
| − | CAS_RN 139955-66-1 | + | CAS_RN 139955-66-1 |
| − | FORMULA C23H22O7 | + | FORMULA C23H22O7 |
| − | EXACTMASS 410.136553058 | + | EXACTMASS 410.136553058 |
| − | AVERAGEMASS 410.41658000000007 | + | AVERAGEMASS 410.41658000000007 |
| − | SMILES O=C(C(OC)=3)c(c(OC(c(c4)cc(c(c4)OC)OC)3)1)c(O)c(C2)c(OC(C(C)=C)2)c1 | + | SMILES O=C(C(OC)=3)c(c(OC(c(c4)cc(c(c4)OC)OC)3)1)c(O)c(C2)c(OC(C(C)=C)2)c1 |
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
-1.6224 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6224 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5098 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5098 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0465 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6028 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6028 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0465 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0465 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1589 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7259 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2928 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2928 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7259 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1589 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0661 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2334 0.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6109 -0.4580 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.2334 -0.9776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2530 -0.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5741 -1.0141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5741 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2928 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2928 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0093 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4507 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4688 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3349 -1.7790 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
3 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
15 25 1 0 0 0 0
25 26 1 0 0 0 0
16 27 1 0 0 0 0
27 28 1 0 0 0 0
8 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 0.8016 -0.9854
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 2.0093 1.7424
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 2.8596 1.1662
S SKP 8
ID FL5FDFNF0001
KNApSAcK_ID C00005104
NAME Velloquercetin 3,3',4'-trimethyl ether
CAS_RN 139955-66-1
FORMULA C23H22O7
EXACTMASS 410.136553058
AVERAGEMASS 410.41658000000007
SMILES O=C(C(OC)=3)c(c(OC(c(c4)cc(c(c4)OC)OC)3)1)c(O)c(C2)c(OC(C(C)=C)2)c1
M END
