Mol:FL2FALNI0020
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5627 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5627 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0418 -1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0418 -1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5209 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5209 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5209 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5209 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0418 -0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0418 -0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5627 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5627 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0001 -1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0001 -1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5208 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5208 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5208 -0.7512 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 0.5208 -0.7512 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.0001 -0.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0001 -0.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0412 -0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0412 -0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0001 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0001 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5756 -0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5756 -0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1099 -0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1099 -0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1099 0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1099 0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5756 0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5756 0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0412 0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0412 0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0418 -2.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0418 -2.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0418 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0418 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5627 0.4517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -1.5627 0.4517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -2.0836 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0836 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0836 -0.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0836 -0.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6443 0.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6443 0.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5023 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5023 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5627 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5627 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0831 1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0831 1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0831 1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0831 1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6034 2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6034 2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5627 2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5627 2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6443 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6443 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6840 0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6840 0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1841 1.6511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1841 1.6511 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 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 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 15 23 1 0 0 0 0 | + | 15 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 20 25 1 0 0 0 0 | + | 20 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 17 31 1 0 0 0 0 | + | 17 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 0.684 0.785 | + | M SVB 1 34 0.684 0.785 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FALNI0020 | + | ID FL2FALNI0020 |
| − | KNApSAcK_ID C00008523 | + | KNApSAcK_ID C00008523 |
| − | NAME Leachianone B | + | NAME Leachianone B |
| − | CAS_RN 138870-83-4 | + | CAS_RN 138870-83-4 |
| − | FORMULA C26H30O6 | + | FORMULA C26H30O6 |
| − | EXACTMASS 438.204238692 | + | EXACTMASS 438.204238692 |
| − | AVERAGEMASS 438.51279999999997 | + | AVERAGEMASS 438.51279999999997 |
| − | SMILES C(C=C(C)C)C(C(C)(C)1)Cc(c42)c(cc(O)c2C(CC(O4)c(c3OC)ccc(c3)O)=O)O1 | + | SMILES C(C=C(C)C)C(C(C)(C)1)Cc(c42)c(cc(O)c2C(CC(O4)c(c3OC)ccc(c3)O)=O)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.5627 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0418 -1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5209 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5209 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0418 -0.4505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5627 -0.7512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0001 -1.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5208 -1.3527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5208 -0.7512 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.0001 -0.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0412 -0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0001 -2.1773 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5756 -0.7593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1099 -0.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1099 0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5756 0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0412 0.1662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0418 -2.2543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0418 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5627 0.4517 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-2.0836 0.1510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0836 -0.4505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.6443 0.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5023 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5627 1.0526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0831 1.3530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0831 1.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6034 2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5627 2.2543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6443 0.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6840 0.7850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1841 1.6511 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
2 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
22 6 1 0 0 0 0
15 23 1 0 0 0 0
21 24 1 0 0 0 0
20 25 1 0 0 0 0
25 26 1 0 0 0 0
21 22 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
21 30 1 0 0 0 0
17 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 0.684 0.785
S SKP 8
ID FL2FALNI0020
KNApSAcK_ID C00008523
NAME Leachianone B
CAS_RN 138870-83-4
FORMULA C26H30O6
EXACTMASS 438.204238692
AVERAGEMASS 438.51279999999997
SMILES C(C=C(C)C)C(C(C)(C)1)Cc(c42)c(cc(O)c2C(CC(O4)c(c3OC)ccc(c3)O)=O)O1
M END
