Mol:FL4DE9NS0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 26 0 0 0 0 0 0 0 0999 V2000 | + | 23 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3735 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3735 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8527 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8527 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3318 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3318 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3318 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3318 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8527 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8527 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3735 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3735 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1891 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1891 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7100 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7100 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7100 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7100 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1891 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1891 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2304 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2304 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1891 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1891 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7647 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7647 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2991 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2991 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2991 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2991 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7647 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7647 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2304 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2304 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2304 -0.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2304 -0.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9456 0.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9456 0.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2991 -0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2991 -0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9456 -0.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9456 -0.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3069 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3069 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5925 -1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5925 -1.3454 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 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 1 0 0 0 | + | 8 18 1 1 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 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 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 25 -8.0376 4.5248 | + | M SBV 1 25 -8.0376 4.5248 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DE9NS0003 | + | ID FL4DE9NS0003 |
| − | KNApSAcK_ID C00008599 | + | KNApSAcK_ID C00008599 |
| − | NAME 3-Hydroxy-5-methoxy-6,7-methylenedioxyflavanone | + | NAME 3-Hydroxy-5-methoxy-6,7-methylenedioxyflavanone |
| − | CAS_RN 83532-20-1 | + | CAS_RN 83532-20-1 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c43)c(C(=O)1)c(cc(OCO4)3)OC(c(c2)cccc2)C(O)1 | + | SMILES COc(c43)c(C(=O)1)c(cc(OCO4)3)OC(c(c2)cccc2)C(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 26 0 0 0 0 0 0 0 0999 V2000
-1.3735 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8527 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3318 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8527 0.4202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3735 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 -0.7827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 -0.4820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7100 0.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 0.4202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1891 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7647 0.1114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2991 0.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2991 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7647 1.3454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 1.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2304 -0.7824 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9456 0.3053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2991 -0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9456 -0.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3069 -0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5925 -1.3454 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
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
8 18 1 1 0 0 0
6 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 1 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 25
M SMT 1 OCH3
M SBV 1 25 -8.0376 4.5248
S SKP 8
ID FL4DE9NS0003
KNApSAcK_ID C00008599
NAME 3-Hydroxy-5-methoxy-6,7-methylenedioxyflavanone
CAS_RN 83532-20-1
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c43)c(C(=O)1)c(cc(OCO4)3)OC(c(c2)cccc2)C(O)1
M END
