Mol:FL5FAAGI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 36 39 0 0 0 0 0 0 0 0999 V2000 | + | 36 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0434 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0434 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0434 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0434 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9308 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9308 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9308 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9308 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 0.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 0.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3745 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3745 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1818 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1818 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1818 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1818 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3745 0.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3745 0.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3745 -1.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3745 -1.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7379 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8719 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8719 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8719 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8719 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7379 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 -1.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 -1.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7379 -0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 -0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4560 1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4560 1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5503 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5503 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1786 -2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1786 -2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9792 -1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9792 -1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1786 -0.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1786 -0.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5503 -0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5503 -0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7496 -1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7496 -1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5200 -1.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5200 -1.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7117 -2.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7117 -2.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0270 -2.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0270 -2.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5995 -1.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5995 -1.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5995 0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5995 0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0432 1.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0432 1.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0432 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0432 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5993 2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5993 2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 2.6917 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 1 0 0 0 | + | 25 26 1 1 0 0 0 |
| − | 26 21 1 1 0 0 0 | + | 26 21 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | 6 32 1 0 0 0 0 | + | 6 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGI0002 | + | ID FL5FAAGI0002 |
| − | KNApSAcK_ID C00005805 | + | KNApSAcK_ID C00005805 |
| − | NAME Ikarisoside A | + | NAME Ikarisoside A |
| − | CAS_RN 55395-07-8 | + | CAS_RN 55395-07-8 |
| − | FORMULA C26H28O10 | + | FORMULA C26H28O10 |
| − | EXACTMASS 500.168247116 | + | EXACTMASS 500.168247116 |
| − | AVERAGEMASS 500.49451999999997 | + | AVERAGEMASS 500.49451999999997 |
| − | SMILES c(c1C(=C3OC(C(O)4)OC(C)C(C(O)4)O)Oc(c2CC=C(C)C)c(C3=O)c(cc(O)2)O)cc(O)cc1 | + | SMILES c(c1C(=C3OC(C(O)4)OC(C)C(C(O)4)O)Oc(c2CC=C(C)C)c(C3=O)c(cc(O)2)O)cc(O)cc1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-2.0434 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0434 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9308 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9308 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 0.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3745 -0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1818 -0.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1818 0.4442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3745 0.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3745 -1.0202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 0.4379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8719 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8719 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 1.4199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 -1.1615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 -0.5192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4560 1.7388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5503 -1.7634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1786 -2.1261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9792 -1.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1786 -0.7268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5503 -0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7496 -1.0616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5200 -1.0616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7117 -2.3656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0270 -2.6917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5995 -1.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5995 0.7653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 1.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0432 1.7286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0432 2.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5993 2.6917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 2.6917 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 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
8 19 1 0 0 0 0
15 20 1 0 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 1 0 0 0
26 21 1 1 0 0 0
26 27 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
25 19 1 0 0 0 0
1 31 1 0 0 0 0
6 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
S SKP 8
ID FL5FAAGI0002
KNApSAcK_ID C00005805
NAME Ikarisoside A
CAS_RN 55395-07-8
FORMULA C26H28O10
EXACTMASS 500.168247116
AVERAGEMASS 500.49451999999997
SMILES c(c1C(=C3OC(C(O)4)OC(C)C(C(O)4)O)Oc(c2CC=C(C)C)c(C3=O)c(cc(O)2)O)cc(O)cc1
M END
