Mol:FL5FGLNS0011
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3370 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3370 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9769 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9769 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2484 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2484 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8800 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8800 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2400 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2400 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9685 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9685 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1515 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1515 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7830 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7830 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1430 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1430 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8716 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8716 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6504 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6504 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7748 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7748 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0514 -4.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0514 -4.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6760 -4.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6760 -4.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0238 -4.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0238 -4.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2530 -4.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2530 -4.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1226 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1226 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8881 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8881 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1541 -2.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1541 -2.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3735 -1.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3735 -1.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5609 -1.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5609 -1.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3517 -5.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3517 -5.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0030 -5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0030 -5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8235 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8235 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7518 -0.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7518 -0.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0673 0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0673 0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2056 -3.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2056 -3.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6283 -4.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6283 -4.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0986 -5.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0986 -5.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5213 -6.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5213 -6.4639 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 |
| − | 17 19 1 0 0 0 0 | + | 17 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 15 22 1 0 0 0 0 | + | 15 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 2 24 1 0 0 0 0 | + | 2 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 8 28 1 0 0 0 0 | + | 8 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 6 SUP | + | M STY 1 6 SUP |
| − | M SLB 1 6 6 | + | M SLB 1 6 6 |
| − | M SAL 6 2 30 31 | + | M SAL 6 2 30 31 |
| − | M SBL 6 1 32 | + | M SBL 6 1 32 |
| − | M SMT 6 OCH3 | + | M SMT 6 OCH3 |
| − | M SVB 6 32 1.8838 0.2661 | + | M SVB 6 32 1.8838 0.2661 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 28 29 | + | M SAL 5 2 28 29 |
| − | M SBL 5 1 30 | + | M SBL 5 1 30 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 30 0.183 -0.6973 | + | M SVB 5 30 0.183 -0.6973 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 -2.5983 0.77 | + | M SVB 4 28 -2.5983 0.77 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 -2.9555 -0.3996 | + | M SVB 3 26 -2.9555 -0.3996 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 2.241 1.4543 | + | M SVB 2 24 2.241 1.4543 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 -1.4067 1.0455 | + | M SVB 1 22 -1.4067 1.0455 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FGLNS0011 | + | ID FL5FGLNS0011 |
| − | KNApSAcK_ID C00004855 | + | KNApSAcK_ID C00004855 |
| − | NAME 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone;5-Hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one | + | NAME 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone;5-Hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 100363-96-0 | + | CAS_RN 100363-96-0 |
| − | FORMULA C21H22O10 | + | FORMULA C21H22O10 |
| − | EXACTMASS 434.121296924 | + | EXACTMASS 434.121296924 |
| − | AVERAGEMASS 434.39338 | + | AVERAGEMASS 434.39338 |
| − | SMILES O(C)c(c31)c(c(c(c1C(C(=C(O3)c(c2)c(cc(OC)c(OC)2)O)OC)=O)O)OC)OC | + | SMILES O(C)c(c31)c(c(c(c1C(C(=C(O3)c(c2)c(cc(OC)c(OC)2)O)OC)=O)O)OC)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-1.3370 -0.7790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9769 -0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2484 -1.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8800 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2400 -1.8874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9685 -1.3052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1515 -2.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7830 -3.0517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1430 -2.9958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8716 -2.4136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6504 -2.5692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7748 -3.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0514 -4.1150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6760 -4.6513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0238 -4.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2530 -4.0009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1226 -3.4647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8881 -1.4732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1541 -2.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3735 -1.5322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5609 -1.8886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3517 -5.1304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0030 -5.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8235 -0.1312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2966 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7518 -0.3692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0673 0.2045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2056 -3.9580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6283 -4.8643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0986 -5.5576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5213 -6.4639 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
17 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
15 22 1 0 0 0 0
22 23 1 0 0 0 0
2 24 1 0 0 0 0
24 25 1 0 0 0 0
1 26 1 0 0 0 0
26 27 1 0 0 0 0
8 28 1 0 0 0 0
28 29 1 0 0 0 0
14 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 30 31
M SBL 6 1 32
M SMT 6 OCH3
M SVB 6 32 1.8838 0.2661
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 28 29
M SBL 5 1 30
M SMT 5 OCH3
M SVB 5 30 0.183 -0.6973
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 -2.5983 0.77
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 -2.9555 -0.3996
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 2.241 1.4543
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 -1.4067 1.0455
S SKP 8
ID FL5FGLNS0011
KNApSAcK_ID C00004855
NAME 5,2'-Dihydroxy-3,6,7,8,4',5'-hexamethoxyflavone;5-Hydroxy-2-(2-hydroxy-4,5-dimethoxyphenyl)-3,6,7,8-tetramethoxy-4H-1-benzopyran-4-one
CAS_RN 100363-96-0
FORMULA C21H22O10
EXACTMASS 434.121296924
AVERAGEMASS 434.39338
SMILES O(C)c(c31)c(c(c(c1C(C(=C(O3)c(c2)c(cc(OC)c(OC)2)O)OC)=O)O)OC)OC
M END
