Mol:FL1CE9NP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 27 0 0 0 0 0 0 0 0999 V2000 | + | 25 27 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.0997 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0997 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0997 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0997 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6560 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6560 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2123 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2123 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2123 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2123 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6560 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6560 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8428 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8428 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3991 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3991 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2867 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2867 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2743 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2743 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2867 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2867 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2743 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2743 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8269 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8269 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3796 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3796 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3796 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3796 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8269 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8269 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8269 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8269 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9322 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9322 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2781 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2781 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4848 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4848 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4848 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4848 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9322 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9322 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6716 1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6716 1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2123 0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2123 0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8269 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8269 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 15 1 0 0 0 0 | + | 22 15 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CE9NP0001 | + | ID FL1CE9NP0001 |
| − | KNApSAcK_ID C00007108 | + | KNApSAcK_ID C00007108 |
| − | NAME Mallotus A | + | NAME Mallotus A |
| − | CAS_RN 116107-14-3 | + | CAS_RN 116107-14-3 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES c(c3)ccc(c3)C=CC(=O)c(c2O)c(O)c(C=1)c(c2O)OC(C1)(C)C | + | SMILES c(c3)ccc(c3)C=CC(=O)c(c2O)c(O)c(C=1)c(c2O)OC(C1)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 27 0 0 0 0 0 0 0 0999 V2000
2.0997 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0997 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6560 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2123 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2123 0.3194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6560 0.6406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8428 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3991 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2867 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2743 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2867 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2743 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8269 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3796 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3796 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8269 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8269 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9322 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2781 0.6468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4848 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4848 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9322 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6716 1.0248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2123 0.5226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8269 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
16 17 1 0 0 0 0
14 18 1 0 0 0 0
12 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 15 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
13 25 1 0 0 0 0
S SKP 8
ID FL1CE9NP0001
KNApSAcK_ID C00007108
NAME Mallotus A
CAS_RN 116107-14-3
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c3)ccc(c3)C=CC(=O)c(c2O)c(O)c(C=1)c(c2O)OC(C1)(C)C
M END
