Mol:FL1DA9NR0013
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4209 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4209 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4209 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4209 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2936 -0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2936 -0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0081 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0081 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0081 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0081 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2936 0.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2936 0.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0568 -0.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0568 -0.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7328 -0.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7328 -0.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2936 -1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2936 -1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9959 -1.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9959 -1.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4344 -1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4344 -1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0572 -1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0572 -1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7711 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7711 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4856 -1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4856 -1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2000 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2000 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2000 -2.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2000 -2.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4856 -3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4856 -3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7711 -2.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7711 -2.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7711 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7711 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4856 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4856 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2000 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2000 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2000 1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2000 1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4856 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4856 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7711 1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7711 1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4856 2.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4856 2.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1219 1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1219 1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5379 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5379 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3629 1.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3629 1.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7719 1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7719 1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3558 0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3558 0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5308 0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5308 0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7193 -0.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7193 -0.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1871 2.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1871 2.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6032 3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6032 3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3621 2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3621 2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4856 -0.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4856 -0.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9761 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9761 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0179 -0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0179 -0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2936 1.5387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2936 1.5387 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 |
| − | 4 8 1 0 0 0 0 | + | 4 8 1 0 0 0 0 |
| − | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 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 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 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 19 5 1 6 0 0 0 | + | 19 5 1 6 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 26 1 1 6 0 0 0 | + | 26 1 1 6 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 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 2 0 0 0 0 | + | 30 31 2 0 0 0 0 |
| − | 31 26 1 0 0 0 0 | + | 31 26 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 27 33 1 1 0 0 0 | + | 27 33 1 1 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 20 36 1 1 0 0 0 | + | 20 36 1 1 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | 6 39 1 0 0 0 0 | + | 6 39 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NR0013 | + | ID FL1DA9NR0013 |
| − | KNApSAcK_ID C00014612 | + | KNApSAcK_ID C00014612 |
| − | NAME (-)-Neolinderatin;[1S-[1alpha(1R*,6R*),6beta]]-3-Phenyl-1-[2,4,6-trihydroxy-3,5-bis[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-1-propanone | + | NAME (-)-Neolinderatin;[1S-[1alpha(1R*,6R*),6beta]]-3-Phenyl-1-[2,4,6-trihydroxy-3,5-bis[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-1-propanone |
| − | CAS_RN 196089-61-9 | + | CAS_RN 196089-61-9 |
| − | FORMULA C35H46O4 | + | FORMULA C35H46O4 |
| − | EXACTMASS 530.33960996 | + | EXACTMASS 530.33960996 |
| − | AVERAGEMASS 530.73734 | + | AVERAGEMASS 530.73734 |
| − | SMILES C(C1C(C)C)CC(C)=CC1c(c3O)c(O)c(c(c(C(C4C(C)C)C=C(C)CC4)3)O)C(=O)CCc(c2)cccc2 | + | SMILES C(C1C(C)C)CC(C)=CC1c(c3O)c(O)c(c(c(C(C4C(C)C)C=C(C)CC4)3)O)C(=O)CCc(c2)cccc2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-0.4209 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4209 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2936 -0.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0081 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0081 0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2936 0.9775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0568 -0.6272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7328 -0.6784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2936 -1.3673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9959 -1.7727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4344 -1.7876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0572 -1.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7711 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4856 -1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2000 -1.8403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2000 -2.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4856 -3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7711 -2.6653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7711 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4856 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2000 1.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2000 1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4856 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7711 1.8305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4856 2.8918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1219 1.0383 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5379 1.7507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3629 1.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7719 1.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3558 0.3176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5308 0.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7193 -0.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1871 2.3654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6032 3.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3621 2.3695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4856 -0.0641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9761 -0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0179 -0.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2936 1.5387 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
4 8 1 0 0 0 0
3 9 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
11 12 1 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 5 1 6 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 19 1 0 0 0 0
23 25 1 0 0 0 0
26 1 1 6 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 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
30 32 1 0 0 0 0
27 33 1 1 0 0 0
33 34 1 0 0 0 0
33 35 1 0 0 0 0
20 36 1 1 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
6 39 1 0 0 0 0
S SKP 8
ID FL1DA9NR0013
KNApSAcK_ID C00014612
NAME (-)-Neolinderatin;[1S-[1alpha(1R*,6R*),6beta]]-3-Phenyl-1-[2,4,6-trihydroxy-3,5-bis[3-methyl-6-(1-methylethyl)-2-cyclohexen-1-yl]phenyl]-1-propanone
CAS_RN 196089-61-9
FORMULA C35H46O4
EXACTMASS 530.33960996
AVERAGEMASS 530.73734
SMILES C(C1C(C)C)CC(C)=CC1c(c3O)c(O)c(c(c(C(C4C(C)C)C=C(C)CC4)3)O)C(=O)CCc(c2)cccc2
M END
