Mol:FL5FDINS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1416 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1416 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1416 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1416 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5853 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5853 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0290 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0290 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0290 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0290 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5853 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5853 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4727 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4727 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0836 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0836 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4727 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4727 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4727 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4727 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6397 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6397 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2067 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2067 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7737 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7737 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7737 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7737 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2067 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2067 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6397 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6397 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6977 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6977 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5853 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5853 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7737 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7737 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6397 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6397 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5058 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5058 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9496 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9496 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8157 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8157 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4901 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4901 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9315 2.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9315 2.6397 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 |
| − | 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 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 16 25 1 0 0 0 0 | + | 16 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 3 2 25 26 |
| − | M SBL 3 1 27 | + | M SBL 3 1 27 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 27 1.4901 1.7424 | + | M SVB 3 27 1.4901 1.7424 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 23 24 | + | M SAL 2 2 23 24 |
| − | M SBL 2 1 25 | + | M SBL 2 1 25 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 25 0.2825 -0.9854 | + | M SVB 2 25 0.2825 -0.9854 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 23 | + | M SBL 1 1 23 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 23 1.9832 -0.022 | + | M SVB 1 23 1.9832 -0.022 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FDINS0001 | + | ID FL5FDINS0001 |
| − | KNApSAcK_ID C00004771 | + | KNApSAcK_ID C00004771 |
| − | NAME Myricetin 3,3',5'-trimethyl ether | + | NAME Myricetin 3,3',5'-trimethyl ether |
| − | CAS_RN 110559-13-2 | + | CAS_RN 110559-13-2 |
| − | FORMULA C18H16O8 | + | FORMULA C18H16O8 |
| − | EXACTMASS 360.08451748799996 | + | EXACTMASS 360.08451748799996 |
| − | AVERAGEMASS 360.31484 | + | AVERAGEMASS 360.31484 |
| − | SMILES c(c(OC)1)(c(OC)cc(C(O2)=C(C(c(c(O)3)c2cc(O)c3)=O)OC)c1)O | + | SMILES c(c(OC)1)(c(OC)cc(C(O2)=C(C(c(c(O)3)c2cc(O)c3)=O)OC)c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.1416 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1416 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0290 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 0.1844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -1.1003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0836 -0.1368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 0.1844 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4727 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 -0.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 0.1843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7737 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2067 1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6397 0.8390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6977 0.1843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5853 -1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7737 0.8390 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6397 -0.3157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5058 -0.8156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9496 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8157 -1.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4901 1.7424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9315 2.6397 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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
15 20 1 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
16 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 25 26
M SBL 3 1 27
M SMT 3 OCH3
M SVB 3 27 1.4901 1.7424
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 23 24
M SBL 2 1 25
M SMT 2 OCH3
M SVB 2 25 0.2825 -0.9854
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 23
M SMT 1 OCH3
M SVB 1 23 1.9832 -0.022
S SKP 8
ID FL5FDINS0001
KNApSAcK_ID C00004771
NAME Myricetin 3,3',5'-trimethyl ether
CAS_RN 110559-13-2
FORMULA C18H16O8
EXACTMASS 360.08451748799996
AVERAGEMASS 360.31484
SMILES c(c(OC)1)(c(OC)cc(C(O2)=C(C(c(c(O)3)c2cc(O)c3)=O)OC)c1)O
M END
