Mol:FL2FA9NC0015
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 44 0 0 0 0 0 0 0 0999 V2000 | + | 39 44 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7549 -1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7549 -1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0423 -1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0423 -1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7517 -2.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7517 -2.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.3223 -2.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3223 -2.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.3940 -3.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3940 -3.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1066 -2.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1066 -2.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1030 -1.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1030 -1.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3867 -1.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3867 -1.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7567 -1.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7567 -1.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4728 -1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4728 -1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1857 -1.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1857 -1.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1825 -0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1825 -0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4664 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4664 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7536 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7536 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3951 -3.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3951 -3.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0338 -3.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0338 -3.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0436 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0436 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7576 -0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7576 -0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.4689 -1.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4689 -1.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3321 -0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3321 -0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3335 0.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3335 0.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0464 0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0464 0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7590 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7590 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4730 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4730 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1857 0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1857 0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1843 -0.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1843 -0.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0835 -1.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0835 -1.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2618 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2618 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1691 1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1691 1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6226 1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6226 1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8176 2.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8176 2.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6093 2.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6093 2.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8043 3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8043 3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2076 3.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2076 3.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4158 3.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4158 3.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2209 2.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2209 2.8303 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 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 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 29 21 1 0 0 0 0 | + | 29 21 1 0 0 0 0 |
| − | 21 30 2 0 0 0 0 | + | 21 30 2 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 2 0 0 0 0 | + | 36 37 2 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 39 34 1 0 0 0 0 | + | 39 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FA9NC0015 | + | ID FL2FA9NC0015 |
| − | KNApSAcK_ID C00014298 | + | KNApSAcK_ID C00014298 |
| − | NAME Kurziflavolactone B;(2R,12S,14S,16S)-rel-(-)-2,3,9,10,11,12,15,16-Octahydro-5,14-dihydroxy-2-phenyl-14-[(1E)-2-phenylethenyl]-2,16-methano-4H,8H,14H-pyrano[2,3-l][1,7]benzodioxacyclododecin-4,8-dione | + | NAME Kurziflavolactone B;(2R,12S,14S,16S)-rel-(-)-2,3,9,10,11,12,15,16-Octahydro-5,14-dihydroxy-2-phenyl-14-[(1E)-2-phenylethenyl]-2,16-methano-4H,8H,14H-pyrano[2,3-l][1,7]benzodioxacyclododecin-4,8-dione |
| − | CAS_RN 150852-76-9 | + | CAS_RN 150852-76-9 |
| − | FORMULA C32H30O7 | + | FORMULA C32H30O7 |
| − | EXACTMASS 526.199153314 | + | EXACTMASS 526.199153314 |
| − | AVERAGEMASS 526.5764 | + | AVERAGEMASS 526.5764 |
| − | SMILES OC(C2)(OC(C6)CC2c(c(OC(=O)CC6)3)c(O4)c(C(=O)CC(c(c5)cccc5)4)c(O)c3)C=Cc(c1)cccc1 | + | SMILES OC(C2)(OC(C6)CC2c(c(OC(=O)CC6)3)c(O4)c(C(=O)CC(c(c5)cccc5)4)c(O)c3)C=Cc(c1)cccc1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 44 0 0 0 0 0 0 0 0999 V2000
-1.7549 -1.9243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0423 -1.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7517 -2.7493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0349 -3.1586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3223 -2.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3260 -1.9180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3940 -3.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1066 -2.7366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1030 -1.9116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3867 -1.5023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7567 -1.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4728 -1.9405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1857 -1.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1825 -0.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4664 -0.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7536 -0.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3951 -3.7955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0338 -3.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0436 -0.6836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7576 -0.2743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4703 -0.6860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4689 -1.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3321 -0.2719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3335 0.5511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0464 0.9604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7590 0.5487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4730 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1857 0.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1843 -0.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0835 -1.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2618 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.1691 1.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6226 1.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8176 2.2606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6093 2.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8043 3.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2076 3.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4158 3.6319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2209 2.8303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
4 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
21 22 1 0 0 0 0
22 1 1 0 0 0 0
19 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
26 20 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 21 1 0 0 0 0
21 30 2 0 0 0 0
24 31 1 0 0 0 0
24 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 36 1 0 0 0 0
36 37 2 0 0 0 0
37 38 1 0 0 0 0
38 39 2 0 0 0 0
39 34 1 0 0 0 0
S SKP 8
ID FL2FA9NC0015
KNApSAcK_ID C00014298
NAME Kurziflavolactone B;(2R,12S,14S,16S)-rel-(-)-2,3,9,10,11,12,15,16-Octahydro-5,14-dihydroxy-2-phenyl-14-[(1E)-2-phenylethenyl]-2,16-methano-4H,8H,14H-pyrano[2,3-l][1,7]benzodioxacyclododecin-4,8-dione
CAS_RN 150852-76-9
FORMULA C32H30O7
EXACTMASS 526.199153314
AVERAGEMASS 526.5764
SMILES OC(C2)(OC(C6)CC2c(c(OC(=O)CC6)3)c(O4)c(C(=O)CC(c(c5)cccc5)4)c(O)c3)C=Cc(c1)cccc1
M END
