Mol:FLIDHXNP0003
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 29 0 0 0 0 0 0 0 0999 V2000 | + | 25 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.5563 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5563 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5563 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5563 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0000 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0000 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4437 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4437 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4437 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4437 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0000 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0000 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8874 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8874 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3311 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3311 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3311 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3311 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8874 1.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8874 1.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2250 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2250 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2250 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2250 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8198 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8198 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4146 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4146 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4146 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4146 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8198 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8198 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8816 -0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8816 -0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0094 -1.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0094 -1.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6041 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6041 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6041 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6041 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0094 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0094 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1124 1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1124 1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6041 -1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6041 -1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1124 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1124 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2878 0.6893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2878 0.6893 0.0000 O 0 0 0 0 0 0 0 0 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 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 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 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 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 |
| − | 1 22 1 0 0 0 0 | + | 1 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
| − | 8 25 1 0 0 0 0 | + | 8 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDHXNP0003 | + | ID FLIDHXNP0003 |
| − | KNApSAcK_ID C00009684 | + | KNApSAcK_ID C00009684 |
| − | NAME Tuberosin | + | NAME Tuberosin |
| − | CAS_RN 41347-45-9 | + | CAS_RN 41347-45-9 |
| − | FORMULA C20H18O5 | + | FORMULA C20H18O5 |
| − | EXACTMASS 338.115423686 | + | EXACTMASS 338.115423686 |
| − | AVERAGEMASS 338.35392 | + | AVERAGEMASS 338.35392 |
| − | SMILES c(c52)c(c(cc2C(C4)(O)C(O5)c(c3O4)ccc(O)c3)1)OC(C=C1)(C)C | + | SMILES c(c52)c(c(cc2C(C4)(O)C(O5)c(c3O4)ccc(O)c3)1)OC(C=C1)(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 29 0 0 0 0 0 0 0 0999 V2000
-2.5563 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5563 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0000 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4437 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4437 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0000 1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8874 0.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3311 0.3320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3311 0.9743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8874 1.2955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2250 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2250 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8198 -1.0193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4146 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4146 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8198 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8816 -0.6757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0094 -1.0193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6041 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6041 0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0094 0.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1124 1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6041 -1.2955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1124 -0.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2878 0.6893 0.0000 O 0 0 0 0 0 0 0 0 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 1 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 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 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
1 22 1 0 0 0 0
19 23 1 0 0 0 0
19 24 1 0 0 0 0
8 25 1 0 0 0 0
S SKP 8
ID FLIDHXNP0003
KNApSAcK_ID C00009684
NAME Tuberosin
CAS_RN 41347-45-9
FORMULA C20H18O5
EXACTMASS 338.115423686
AVERAGEMASS 338.35392
SMILES c(c52)c(c(cc2C(C4)(O)C(O5)c(c3O4)ccc(O)c3)1)OC(C=C1)(C)C
M END
