Mol:FLIAAANF0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.1469 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1469 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1469 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1469 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5906 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5906 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0343 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0343 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0343 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0343 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5906 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5906 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5221 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5221 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0784 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0784 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0784 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0784 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5221 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5221 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6344 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6344 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6344 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6344 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2292 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2292 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8240 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8240 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8240 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8240 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2292 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2292 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5221 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5221 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5906 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5906 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4182 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4182 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7578 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7578 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1353 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1353 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7578 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7578 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7775 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7775 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0985 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0985 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0985 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0985 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4182 0.5150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4182 0.5150 0.0000 O 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAAANF0001 | + | ID FLIAAANF0001 |
| − | KNApSAcK_ID C00009501 | + | KNApSAcK_ID C00009501 |
| − | NAME Erythrinin C | + | NAME Erythrinin C |
| − | CAS_RN 63807-85-2 | + | CAS_RN 63807-85-2 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES Oc(c1)ccc(C(=C4)C(c(c(O4)3)c(O)c(c2c3)CC(C(C)(C)O)O2)=O)c1 | + | SMILES Oc(c1)ccc(C(=C4)C(c(c(O4)3)c(O)c(c2c3)CC(C(C)(C)O)O2)=O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.1469 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1469 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5906 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0343 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0343 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5906 1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5221 -0.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0784 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0784 0.8362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5221 1.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6344 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6344 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2292 -1.1574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8240 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8240 -0.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2292 0.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5221 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5906 -0.7694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4182 -1.1571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7578 1.0347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1353 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7578 -0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7775 0.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0985 1.0711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0985 -0.0411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4182 0.5150 0.0000 O 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
8 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 2 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FLIAAANF0001
KNApSAcK_ID C00009501
NAME Erythrinin C
CAS_RN 63807-85-2
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES Oc(c1)ccc(C(=C4)C(c(c(O4)3)c(O)c(c2c3)CC(C(C)(C)O)O2)=O)c1
M END
