Mol:FL1C1ANI0017
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 31 0 0 0 0 0 0 0 0999 V2000 | + | 30 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.0556 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0556 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0556 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0556 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6119 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6119 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1682 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1682 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1682 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1682 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6119 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6119 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9224 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9224 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4787 -0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4787 -0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3663 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3663 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8054 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8054 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3663 -0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3663 -0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8054 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8054 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2527 0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2527 0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2999 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2999 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2999 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2999 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2527 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2527 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2527 -0.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2527 -0.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9265 0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9265 0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7243 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7243 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8602 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8602 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4128 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4128 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9653 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9653 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5178 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5178 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0703 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0703 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6229 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6229 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1742 -0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1742 -0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9653 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9653 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7243 0.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7243 0.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1742 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1742 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6229 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6229 0.6550 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 |
| − | 5 19 1 0 0 0 0 | + | 5 19 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 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 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 22 27 1 0 0 0 0 | + | 22 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 2 0 0 0 0 | + | 26 29 2 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 25 30 1 0 0 0 0 | + | 25 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANI0017 | + | ID FL1C1ANI0017 |
| − | KNApSAcK_ID C00007125 | + | KNApSAcK_ID C00007125 |
| − | NAME Xanthoangelol B | + | NAME Xanthoangelol B |
| − | CAS_RN 132998-81-3 | + | CAS_RN 132998-81-3 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES C(=O)(C=Cc(c2)ccc(O)c2)c(c(O)1)ccc(O)c1CC=C(C)CCC(O)C(C)=C | + | SMILES C(=O)(C=Cc(c2)ccc(O)c2)c(c(O)1)ccc(O)c1CC=C(C)CCC(O)C(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/
30 31 0 0 0 0 0 0 0 0999 V2000
3.0556 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0556 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6119 -0.3664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1682 -0.0452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1682 0.5972 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6119 0.9184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9224 -0.0246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4787 -0.3457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3663 -0.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8054 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3663 -0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8054 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2527 0.9452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2999 0.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2999 -0.0120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2527 -0.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2527 -0.9691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9265 0.9864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7243 0.9182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8602 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4128 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9653 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5178 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0703 -0.3020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6229 0.0170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1742 -0.3013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9653 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7243 0.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1742 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6229 0.6550 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
5 19 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 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 0 0 0 0
22 27 1 0 0 0 0
26 28 1 0 0 0 0
26 29 2 0 0 0 0
15 20 1 0 0 0 0
25 30 1 0 0 0 0
S SKP 8
ID FL1C1ANI0017
KNApSAcK_ID C00007125
NAME Xanthoangelol B
CAS_RN 132998-81-3
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES C(=O)(C=Cc(c2)ccc(O)c2)c(c(O)1)ccc(O)c1CC=C(C)CCC(O)C(C)=C
M END
