Mol:FL1DA9NR0006
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 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.1585 -0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1585 -0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1585 -0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1585 -0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6232 -0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6232 -0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0880 -0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0880 -0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0880 -0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0880 -0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6232 0.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6232 0.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5909 -0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5909 -0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1265 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1265 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6621 -0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6621 -0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1989 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1989 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6621 -1.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6621 -1.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1989 -0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1989 -0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7681 -0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7681 -0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7681 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7681 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 -0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 -0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2846 -1.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2846 -1.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2516 0.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2516 0.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7190 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7190 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1755 -0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1755 -0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6319 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6319 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6319 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6319 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1755 -2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1755 -2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7190 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7190 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0880 -0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0880 -0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3033 -2.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3033 -2.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8877 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8877 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3033 -2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3033 -2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6824 0.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6824 0.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2753 1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2753 1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2106 1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2106 1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2106 2.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2106 2.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2753 2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2753 2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7612 2.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7612 2.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7612 1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7612 1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2470 2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2470 2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7039 1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7039 1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1969 1.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1969 1.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7039 0.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7039 0.8089 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 |
| − | 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 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 7 1 0 0 0 0 | + | 2 7 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 |
| − | 19 15 1 6 0 0 0 | + | 19 15 1 6 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 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 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 24 26 1 1 0 0 0 | + | 24 26 1 1 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 12 29 1 0 0 0 0 | + | 12 29 1 0 0 0 0 |
| − | 30 13 1 1 0 0 0 | + | 30 13 1 1 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 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 30 1 0 0 0 0 | + | 35 30 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 31 37 1 6 0 0 0 | + | 31 37 1 6 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NR0006 | + | ID FL1DA9NR0006 |
| − | KNApSAcK_ID C00008017 | + | KNApSAcK_ID C00008017 |
| − | NAME Neolinderatin | + | NAME Neolinderatin |
| − | CAS_RN 120217-41-6 | + | CAS_RN 120217-41-6 |
| − | 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
2.1585 -0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1585 -0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6232 -0.9075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0880 -0.6392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0880 -0.1026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6232 0.1657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5909 -0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1265 -0.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 -0.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1989 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6621 -1.4216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1989 -0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 0.2182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7681 -0.0610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7681 -0.6193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 -0.8985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2846 -1.4567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2516 0.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7190 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1755 -0.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6319 -1.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6319 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1755 -2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7190 -1.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0880 -0.9943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3033 -2.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8877 -1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3033 -2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6824 0.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2753 1.3824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2106 1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2106 2.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2753 2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7612 2.2240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7612 1.6630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2470 2.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7039 1.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1969 1.6628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7039 0.8089 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
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 7 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
19 15 1 6 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 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
21 25 1 0 0 0 0
24 26 1 1 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
12 29 1 0 0 0 0
30 13 1 1 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 30 1 0 0 0 0
34 36 1 0 0 0 0
31 37 1 6 0 0 0
37 38 1 0 0 0 0
37 39 1 0 0 0 0
S SKP 8
ID FL1DA9NR0006
KNApSAcK_ID C00008017
NAME Neolinderatin
CAS_RN 120217-41-6
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
