Mol:FLNE49NS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 21 23 0 0 0 0 0 0 0 0999 V2000 | + | 21 23 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9053 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9053 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3490 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3490 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2071 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2071 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2071 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2071 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7838 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7838 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9053 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9053 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3490 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3490 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7838 -0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7838 -0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2309 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2309 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2309 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2309 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7838 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7838 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3368 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3368 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3368 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3368 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3606 0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3606 0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3606 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3606 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3606 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3606 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7838 1.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7838 1.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2625 1.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2625 1.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7624 2.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7624 2.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0710 1.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0710 1.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3655 2.8174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3655 2.8174 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 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 1 6 1 0 0 0 0 | + | 1 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 4 1 0 0 0 0 | + | 7 4 1 0 0 0 0 |
| − | 5 8 1 0 0 0 0 | + | 5 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 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 8 1 0 0 0 0 | + | 13 8 1 0 0 0 0 |
| − | 6 14 1 0 0 0 0 | + | 6 14 1 0 0 0 0 |
| − | 5 15 2 0 0 0 0 | + | 5 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 3 1 0 0 0 0 | + | 17 3 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 20 21 | + | M SAL 2 2 20 21 |
| − | M SBL 2 1 22 | + | M SBL 2 1 22 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 22 -0.071 1.9177 | + | M SVB 2 22 -0.071 1.9177 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 18 19 | + | M SAL 1 2 18 19 |
| − | M SBL 1 1 20 | + | M SBL 1 1 20 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 20 -1.2625 1.6423 | + | M SVB 1 20 -1.2625 1.6423 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLNE49NS0001 | + | ID FLNE49NS0001 |
| − | KNApSAcK_ID C00010267 | + | KNApSAcK_ID C00010267 |
| − | NAME Kuhlmannene;6-Hydroxy-7,8-dimethoxyneoflavene | + | NAME Kuhlmannene;6-Hydroxy-7,8-dimethoxyneoflavene |
| − | CAS_RN 20972-80-9 | + | CAS_RN 20972-80-9 |
| − | FORMULA C17H16O4 | + | FORMULA C17H16O4 |
| − | EXACTMASS 284.104859 | + | EXACTMASS 284.104859 |
| − | AVERAGEMASS 284.30654 | + | AVERAGEMASS 284.30654 |
| − | SMILES COc(c(O)3)c(OC)c(O2)c(c3)C(=CC2)c(c1)cccc1 | + | SMILES COc(c(O)3)c(OC)c(O2)c(c3)C(=CC2)c(c1)cccc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
21 23 0 0 0 0 0 0 0 0999 V2000
-0.9053 1.0235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3490 1.3447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2071 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2071 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 0.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9053 0.3815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3490 0.0605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 -0.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2309 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2309 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 -1.9177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3368 -1.5985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3368 -0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3606 0.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3606 0.3577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3606 1.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7838 1.3566 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2625 1.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7624 2.5084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0710 1.9177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3655 2.8174 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
3 4 2 0 0 0 0
4 5 1 0 0 0 0
1 6 1 0 0 0 0
6 7 2 0 0 0 0
7 4 1 0 0 0 0
5 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 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 8 1 0 0 0 0
6 14 1 0 0 0 0
5 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 1 0 0 0 0
17 3 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 20 21
M SBL 2 1 22
M SMT 2 OCH3
M SVB 2 22 -0.071 1.9177
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 18 19
M SBL 1 1 20
M SMT 1 OCH3
M SVB 1 20 -1.2625 1.6423
S SKP 8
ID FLNE49NS0001
KNApSAcK_ID C00010267
NAME Kuhlmannene;6-Hydroxy-7,8-dimethoxyneoflavene
CAS_RN 20972-80-9
FORMULA C17H16O4
EXACTMASS 284.104859
AVERAGEMASS 284.30654
SMILES COc(c(O)3)c(OC)c(O2)c(c3)C(=CC2)c(c1)cccc1
M END
