Mol:FLIBALNI0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9590 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9590 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9590 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9590 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4027 1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4027 1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1536 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1536 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1536 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1536 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4027 2.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4027 2.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7099 1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7099 1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2662 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2662 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2662 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2662 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7099 2.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7099 2.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8223 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8223 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8223 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8223 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4171 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4171 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0119 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0119 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0119 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0119 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4171 1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4171 1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7099 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7099 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2281 0.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2281 0.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4027 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4027 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6067 0.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6067 0.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5153 2.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5153 2.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5151 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5151 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5151 0.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5151 0.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0384 0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0384 0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0384 -0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0384 -0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5612 -1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5612 -1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0839 -1.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0839 -1.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0839 -2.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0839 -2.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6067 -1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6067 -1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5978 0.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5978 0.4164 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 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 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 2 0 0 0 0 | + | 27 28 2 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNI0003 | + | ID FLIBALNI0003 |
| − | KNApSAcK_ID C00009562 | + | KNApSAcK_ID C00009562 |
| − | NAME Lespedeol A | + | NAME Lespedeol A |
| − | CAS_RN 51581-05-6 | + | CAS_RN 51581-05-6 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES c(c31)c(O)c(CC=C(C)CCC=C(C)C)c(O)c(C(=O)C(CO3)c(c2)c(cc(O)c2)O)1 | + | SMILES c(c31)c(O)c(CC=C(C)CCC=C(C)C)c(O)c(C(=O)C(CO3)c(c2)c(cc(O)c2)O)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 33 0 0 0 0 0 0 0 0999 V2000
-0.9590 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9590 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4027 1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1536 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1536 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4027 2.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7099 1.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2662 1.3575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2662 1.9998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7099 2.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8223 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8223 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4171 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0119 0.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0119 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4171 1.3798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7099 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2281 0.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4027 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6067 0.0062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5153 2.3210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5151 1.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5151 0.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0384 0.0935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0384 -0.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -0.8120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5612 -1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0839 -1.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0839 -2.3210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6067 -1.4156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5978 0.4164 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 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 2 0 0 0 0
12 18 1 0 0 0 0
3 19 1 0 0 0 0
20 14 1 0 0 0 0
21 1 1 0 0 0 0
2 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
24 31 1 0 0 0 0
S SKP 8
ID FLIBALNI0003
KNApSAcK_ID C00009562
NAME Lespedeol A
CAS_RN 51581-05-6
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES c(c31)c(O)c(CC=C(C)CCC=C(C)C)c(O)c(C(=O)C(CO3)c(c2)c(cc(O)c2)O)1
M END
