Mol:FL1CEANS0004
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0159 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0159 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0159 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0159 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4596 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4596 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9033 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9033 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9033 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9033 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4596 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4596 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3470 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3470 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2093 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2093 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7654 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7654 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3215 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3215 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8825 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8825 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4435 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4435 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4435 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4435 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8825 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8825 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3215 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3215 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3470 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3470 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4596 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4596 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6268 0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6268 0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0044 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0044 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6268 -0.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6268 -0.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0044 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0044 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3472 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3472 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3673 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3673 0.5467 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 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 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 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 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 13 21 1 0 0 0 0 | + | 13 21 1 0 0 0 0 |
| − | 5 22 1 0 0 0 0 | + | 5 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 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 24 -5.0857 4.2386 | + | M SBV 1 24 -5.0857 4.2386 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CEANS0004 | + | ID FL1CEANS0004 |
| − | KNApSAcK_ID C00007027 | + | KNApSAcK_ID C00007027 |
| − | NAME 4,2'-Dihydroxy-6'-methoxy-3',4'-methylenedioxychalcone | + | NAME 4,2'-Dihydroxy-6'-methoxy-3',4'-methylenedioxychalcone |
| − | CAS_RN 73694-19-6 | + | CAS_RN 73694-19-6 |
| − | FORMULA C17H14O6 | + | FORMULA C17H14O6 |
| − | EXACTMASS 314.07903818 | + | EXACTMASS 314.07903818 |
| − | AVERAGEMASS 314.28945999999996 | + | AVERAGEMASS 314.28945999999996 |
| − | SMILES COc(c1)c(C(=O)C=Cc(c3)ccc(O)c3)c(O)c(O2)c(OC2)1 | + | SMILES COc(c1)c(C(=O)C=Cc(c3)ccc(O)c3)c(O)c(O2)c(OC2)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-2.0159 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0159 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9033 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9033 0.6382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 0.9594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3470 -0.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2093 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7654 -0.3252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3215 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8825 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4435 -0.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4435 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8825 0.9675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3215 0.6436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3470 -0.8267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4596 -0.9675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6268 0.8367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0044 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6268 -0.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0044 0.9674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3472 0.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3673 0.5467 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 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
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 2 1 0 0 0 0
13 21 1 0 0 0 0
5 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 24
M SMT 1 OCH3
M SBV 1 24 -5.0857 4.2386
S SKP 8
ID FL1CEANS0004
KNApSAcK_ID C00007027
NAME 4,2'-Dihydroxy-6'-methoxy-3',4'-methylenedioxychalcone
CAS_RN 73694-19-6
FORMULA C17H14O6
EXACTMASS 314.07903818
AVERAGEMASS 314.28945999999996
SMILES COc(c1)c(C(=O)C=Cc(c3)ccc(O)c3)c(O)c(O2)c(OC2)1
M END
