Mol:FL2F1ANP0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 33 0 0 0 0 0 0 0 0999 V2000 | + | 29 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8455 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8455 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3246 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3246 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8037 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8037 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8037 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8037 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3246 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3246 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8455 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8455 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2828 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2828 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2380 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2380 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2380 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2380 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2828 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2828 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7584 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7584 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2828 -1.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2828 -1.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2928 -0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2928 -0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8271 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8271 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8271 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8271 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2928 0.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2928 0.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7584 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7584 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3664 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3664 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3246 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3246 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8455 0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8455 0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3664 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3664 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8963 0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8963 0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9758 0.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9758 0.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3615 0.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3615 0.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3615 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3615 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8271 1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8271 1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2928 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2928 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9758 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9758 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5494 1.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5494 1.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 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 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 16 1 0 0 0 0 | + | 27 16 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANP0004 | + | ID FL2F1ANP0004 |
| − | KNApSAcK_ID C00008432 | + | KNApSAcK_ID C00008432 |
| − | NAME Xambioona | + | NAME Xambioona |
| − | CAS_RN 82345-36-6 | + | CAS_RN 82345-36-6 |
| − | FORMULA C25H24O4 | + | FORMULA C25H24O4 |
| − | EXACTMASS 388.167459256 | + | EXACTMASS 388.167459256 |
| − | AVERAGEMASS 388.45565999999997 | + | AVERAGEMASS 388.45565999999997 |
| − | SMILES c(C3=O)(c5)c(c(C=4)c(c5)OC(C4)(C)C)OC(C3)c(c2)ccc(c21)OC(C=C1)(C)C | + | SMILES c(C3=O)(c5)c(c(C=4)c(c5)OC(C4)(C)C)OC(C3)c(c2)ccc(c21)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/
29 33 0 0 0 0 0 0 0 0999 V2000
-1.8455 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3246 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8037 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3246 -0.2583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8455 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2828 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2380 -1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2380 -0.5591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2828 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7584 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2828 -1.9852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2928 -0.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8271 -0.2586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8271 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2928 0.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7584 0.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3664 -0.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3246 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8455 0.6438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3664 0.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8963 0.8731 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9758 0.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3615 0.6669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3615 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8271 1.5924 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2928 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9758 1.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5494 1.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
6 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
15 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 16 1 0 0 0 0
25 28 1 0 0 0 0
25 29 1 0 0 0 0
S SKP 8
ID FL2F1ANP0004
KNApSAcK_ID C00008432
NAME Xambioona
CAS_RN 82345-36-6
FORMULA C25H24O4
EXACTMASS 388.167459256
AVERAGEMASS 388.45565999999997
SMILES c(C3=O)(c5)c(c(C=4)c(c5)OC(C4)(C)C)OC(C3)c(c2)ccc(c21)OC(C=C1)(C)C
M END
