Mol:FL1C29NP0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.0245 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0245 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0245 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0245 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5808 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5808 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1371 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1371 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1371 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1371 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5808 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5808 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7675 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7675 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3238 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3238 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2114 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2114 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3495 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3495 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2114 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2114 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3495 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3495 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9022 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9022 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4548 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4548 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4548 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4548 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9022 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9022 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9022 -1.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9022 -1.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0074 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0074 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5601 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5601 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5601 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5601 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0074 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0074 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9965 0.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9965 0.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1371 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1371 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9022 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9022 1.2848 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 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 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C29NP0001 | + | ID FL1C29NP0001 |
| − | KNApSAcK_ID C00007077 | + | KNApSAcK_ID C00007077 |
| − | NAME Flemichapparin A | + | NAME Flemichapparin A |
| − | CAS_RN 32507-61-2,30880-56-9 | + | CAS_RN 32507-61-2,30880-56-9 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES c(c3)ccc(c3)C=CC(c(c(O)2)cc(O)c(c21)OC(C=C1)(C)C)=O | + | SMILES c(c3)ccc(c3)C=CC(c(c(O)2)cc(O)c(c21)OC(C=C1)(C)C)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
2.0245 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0245 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5808 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1371 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1371 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5808 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7675 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3238 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2114 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3495 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2114 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3495 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9022 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4548 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4548 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9022 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9022 -1.2676 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0074 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5601 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5601 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0074 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9965 0.7642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1371 0.1731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9022 1.2848 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
17 16 1 0 0 0 0
14 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 15 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
13 24 1 0 0 0 0
S SKP 8
ID FL1C29NP0001
KNApSAcK_ID C00007077
NAME Flemichapparin A
CAS_RN 32507-61-2,30880-56-9
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(c3)ccc(c3)C=CC(c(c(O)2)cc(O)c(c21)OC(C=C1)(C)C)=O
M END
