Mol:FL1DA9NR0007
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.2357 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6465 -1.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6465 -1.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0573 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0573 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0573 -0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0573 -0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6465 -0.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6465 -0.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 -0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 -0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4004 -1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4004 -1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2104 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2104 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8499 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8499 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4317 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0123 -1.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0123 -1.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5929 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5929 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5929 -0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5929 -0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0123 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0123 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4317 -0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4317 -0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4004 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4004 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6465 -2.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6465 -2.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4810 -0.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4810 -0.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2642 0.5361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -0.2642 0.5361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.1510 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1510 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0009 1.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0009 1.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5681 1.6705 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.5681 1.6705 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.9834 1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9834 1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8314 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8314 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7039 2.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7039 2.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3342 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3342 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7850 0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7850 0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6009 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6009 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5929 0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5929 0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0929 0.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0929 0.8789 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 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 2 17 1 0 0 0 0 | + | 2 17 1 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 19 18 1 1 0 0 0 | + | 19 18 1 1 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 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 26 1 0 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 |
| − | 6 29 1 0 0 0 0 | + | 6 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 31 -2.5929 0.0129 | + | M SVB 1 31 -2.5929 0.0129 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DA9NR0007 | + | ID FL1DA9NR0007 |
| − | KNApSAcK_ID C00008111 | + | KNApSAcK_ID C00008111 |
| − | NAME Adunctin A | + | NAME Adunctin A |
| − | CAS_RN 151484-73-0 | + | CAS_RN 151484-73-0 |
| − | FORMULA C26H32O4 | + | FORMULA C26H32O4 |
| − | EXACTMASS 408.23005951199997 | + | EXACTMASS 408.23005951199997 |
| − | AVERAGEMASS 408.52987999999993 | + | AVERAGEMASS 408.52987999999993 |
| − | SMILES CC(C)[C@@](Oc(c3)c(c(cc(OC)3)O)C(=O)CCc(c2)cccc2)(C1)C=CC(C1)C | + | SMILES CC(C)[C@@](Oc(c3)c(c(cc(OC)3)O)C(=O)CCc(c2)cccc2)(C1)C=CC(C1)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
-2.2357 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6465 -1.6263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0573 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0573 -0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6465 -0.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 -0.6058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4004 -1.6654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2104 -1.3128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8499 -1.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0123 -1.6814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 -1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5929 -0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0123 -0.3405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4317 -0.6757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4004 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6465 -2.0951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4810 -0.2731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2642 0.5361 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1510 0.9513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0009 1.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5681 1.6705 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.9834 1.2553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8314 0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7039 2.1773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3342 0.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7850 0.4509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6009 -0.2712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5929 0.0129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0929 0.8789 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 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
2 17 1 0 0 0 0
4 18 1 0 0 0 0
19 18 1 1 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
22 25 1 0 0 0 0
19 26 1 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
6 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 31
M SMT 1 OCH3
M SVB 1 31 -2.5929 0.0129
S SKP 8
ID FL1DA9NR0007
KNApSAcK_ID C00008111
NAME Adunctin A
CAS_RN 151484-73-0
FORMULA C26H32O4
EXACTMASS 408.23005951199997
AVERAGEMASS 408.52987999999993
SMILES CC(C)[C@@](Oc(c3)c(c(cc(OC)3)O)C(=O)CCc(c2)cccc2)(C1)C=CC(C1)C
M END
