Mol:FL631CNC0002
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 |
| − | -1.4428 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9936 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9936 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9936 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9936 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8920 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8920 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3411 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3411 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2097 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2097 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2097 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2097 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3411 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3411 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8423 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8423 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4096 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4096 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9770 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9770 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9769 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9769 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4096 2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4096 2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8423 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8423 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5438 0.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5438 0.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4428 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4428 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5438 2.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5438 2.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3547 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3547 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4096 2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4096 2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9120 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9120 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9120 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9120 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3547 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3547 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2026 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2026 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2026 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2026 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4684 -0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4684 -0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3547 -2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3547 -2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7598 -0.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7598 -0.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6265 -1.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6265 -1.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9120 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9120 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 1 1 0 0 0 0 | + | 5 1 1 0 0 0 0 |
| − | 4 6 1 0 0 0 0 | + | 4 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 5 1 0 0 0 0 | + | 9 5 1 0 0 0 0 |
| − | 8 10 1 6 0 0 0 | + | 8 10 1 6 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 2 16 1 0 0 0 0 | + | 2 16 1 0 0 0 0 |
| − | 3 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 17 4 1 0 0 0 0 | + | 17 4 1 0 0 0 0 |
| − | 13 18 1 0 0 0 0 | + | 13 18 1 0 0 0 0 |
| − | 6 19 1 1 0 0 0 | + | 6 19 1 1 0 0 0 |
| − | 14 20 1 0 0 0 0 | + | 14 20 1 0 0 0 0 |
| − | 19 21 2 0 0 0 0 | + | 19 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 23 27 1 0 0 0 0 | + | 23 27 1 0 0 0 0 |
| − | 7 28 1 1 0 0 0 | + | 7 28 1 1 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^OCH3 | + | M SMT 1 ^OCH3 |
| − | M SBV 1 32 -5.1900 4.1373 | + | M SBV 1 32 -5.1900 4.1373 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL631CNC0002 | + | ID FL631CNC0002 |
| − | KNApSAcK_ID C00009324 | + | KNApSAcK_ID C00009324 |
| − | NAME 4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol | + | NAME 4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol |
| − | CAS_RN 126655-04-7 | + | CAS_RN 126655-04-7 |
| − | FORMULA C22H20O8 | + | FORMULA C22H20O8 |
| − | EXACTMASS 412.11581761599996 | + | EXACTMASS 412.11581761599996 |
| − | AVERAGEMASS 412.3894 | + | AVERAGEMASS 412.3894 |
| − | SMILES c(c1)(C3c(c4)c(c(c(O)c4)OC)O)c(OC(C3O)c(c2)ccc(c2O)O)cc(O)c1 | + | SMILES c(c1)(C3c(c4)c(c(c(O)c4)OC)O)c(OC(C3O)c(c2)ccc(c2O)O)cc(O)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
-1.4428 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 0.0460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 0.6820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 0.8371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9770 1.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9769 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 2.1472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 1.8197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 0.9996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5438 2.1470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 -0.8722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2026 -1.8375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2026 -1.1940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4684 -0.8728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3547 -2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7598 -0.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6265 -1.7468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9120 -2.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
4 5 2 0 0 0 0
5 1 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 5 1 0 0 0 0
8 10 1 6 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
2 16 1 0 0 0 0
3 17 2 0 0 0 0
17 4 1 0 0 0 0
13 18 1 0 0 0 0
6 19 1 1 0 0 0
14 20 1 0 0 0 0
19 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 19 1 0 0 0 0
21 26 1 0 0 0 0
23 27 1 0 0 0 0
7 28 1 1 0 0 0
22 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 ^OCH3
M SBV 1 32 -5.1900 4.1373
S SKP 8
ID FL631CNC0002
KNApSAcK_ID C00009324
NAME 4beta-(2,4-Dihydroxy-3-methoxyphenyl)fisetinidol
CAS_RN 126655-04-7
FORMULA C22H20O8
EXACTMASS 412.11581761599996
AVERAGEMASS 412.3894
SMILES c(c1)(C3c(c4)c(c(c(O)c4)OC)O)c(OC(C3O)c(c2)ccc(c2O)O)cc(O)c1
M END
