Mol:FL2FA9NC0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 35 39 0 0 0 0 0 0 0 0999 V2000 | + | 35 39 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0615 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0615 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5406 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5406 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0197 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0197 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0197 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0197 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5406 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5406 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0615 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0615 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5406 -1.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5406 -1.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5011 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5011 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0220 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0220 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0220 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0220 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5011 0.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5011 0.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5424 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5424 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5011 -1.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5011 -1.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0768 0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0768 0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6111 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6111 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6111 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6111 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0768 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0768 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5424 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5424 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5819 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5819 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5819 -1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5819 -1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0967 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0967 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0967 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0967 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5819 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5819 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0670 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0670 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0670 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0670 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6111 -1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6111 -1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5819 0.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5819 0.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5406 1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5406 1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1731 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1731 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3698 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3698 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9126 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9126 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9126 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9126 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3698 2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3698 2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1731 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1731 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6156 2.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6156 2.3781 0.0000 O 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 |
| − | 2 7 1 0 0 0 0 | + | 2 7 1 0 0 0 0 |
| − | 3 8 1 0 0 0 0 | + | 3 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 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 4 1 0 0 0 0 | + | 11 4 1 0 0 0 0 |
| − | 10 12 1 0 0 0 0 | + | 10 12 1 0 0 0 0 |
| − | 8 13 2 0 0 0 0 | + | 8 13 2 0 0 0 0 |
| − | 12 14 2 0 0 0 0 | + | 12 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 12 1 0 0 0 0 | + | 18 12 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 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 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 21 26 1 0 0 0 0 | + | 21 26 1 0 0 0 0 |
| − | 6 27 1 0 0 0 0 | + | 6 27 1 0 0 0 0 |
| − | 5 28 1 0 0 0 0 | + | 5 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 2 0 0 0 0 | + | 31 32 2 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 29 1 0 0 0 0 | + | 34 29 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NC0005 | + | ID FL2FA9NC0005 |
| − | KNApSAcK_ID C00008390 | + | KNApSAcK_ID C00008390 |
| − | NAME Dichamanetin | + | NAME Dichamanetin |
| − | CAS_RN 58779-09-2 | + | CAS_RN 58779-09-2 |
| − | FORMULA C29H24O6 | + | FORMULA C29H24O6 |
| − | EXACTMASS 468.1572885 | + | EXACTMASS 468.1572885 |
| − | AVERAGEMASS 468.49726 | + | AVERAGEMASS 468.49726 |
| − | SMILES C(c(c4O)c(O)c(Cc(c5)c(ccc5)O)c(c42)OC(c(c3)cccc3)CC2=O)c(c1)c(ccc1)O | + | SMILES C(c(c4O)c(O)c(Cc(c5)c(ccc5)O)c(c42)OC(c(c3)cccc3)CC2=O)c(c1)c(ccc1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 39 0 0 0 0 0 0 0 0999 V2000
-1.0615 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5406 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0197 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0197 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5406 0.5564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0615 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5406 -1.1519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5011 -0.6465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0220 -0.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0220 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5011 0.5564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5424 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5011 -1.1704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0768 0.2476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6111 0.5561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6111 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0768 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5424 1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5819 -0.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5819 -1.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0967 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0967 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5819 -2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0670 -2.1388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0670 -1.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6111 -1.2473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5819 0.5561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5406 1.1283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1731 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3698 1.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9126 1.4958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9126 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3698 2.4360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1731 2.1226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6156 2.3781 0.0000 O 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
2 7 1 0 0 0 0
3 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 11 1 0 0 0 0
11 4 1 0 0 0 0
10 12 1 0 0 0 0
8 13 2 0 0 0 0
12 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 17 1 0 0 0 0
17 18 2 0 0 0 0
18 12 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
21 26 1 0 0 0 0
6 27 1 0 0 0 0
5 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
31 32 2 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 29 1 0 0 0 0
34 35 1 0 0 0 0
S SKP 8
ID FL2FA9NC0005
KNApSAcK_ID C00008390
NAME Dichamanetin
CAS_RN 58779-09-2
FORMULA C29H24O6
EXACTMASS 468.1572885
AVERAGEMASS 468.49726
SMILES C(c(c4O)c(O)c(Cc(c5)c(ccc5)O)c(c42)OC(c(c3)cccc3)CC2=O)c(c1)c(ccc1)O
M END
