Mol:FL2FECNS0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.3202 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3202 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3202 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2076 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2076 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7639 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7639 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0950 -0.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -0.0950 -0.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0281 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0281 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4611 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4611 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6513 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6513 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8763 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8763 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2003 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2003 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4859 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4859 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3115 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3115 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7529 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7529 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6775 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6775 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1776 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1776 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5950 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5950 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 1 23 1 0 0 0 0 | + | 1 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 14 25 1 0 0 0 0 | + | 14 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 25 26 | + | M SAL 4 2 25 26 |
| − | M SBL 4 1 27 | + | M SBL 4 1 27 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 27 2.1618 1.1317 | + | M SVB 4 27 2.1618 1.1317 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 23 24 | + | M SAL 3 2 23 24 |
| − | M SBL 3 1 25 | + | M SBL 3 1 25 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 25 -2.6775 0.4474 | + | M SVB 3 25 -2.6775 0.4474 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 21 22 | + | M SAL 2 2 21 22 |
| − | M SBL 2 1 23 | + | M SBL 2 1 23 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 23 1.3115 1.7079 | + | M SVB 2 23 1.3115 1.7079 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 19 20 | + | M SAL 1 2 19 20 |
| − | M SBL 1 1 21 | + | M SBL 1 1 21 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 21 -2.2003 -1.2954 | + | M SVB 1 21 -2.2003 -1.2954 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FECNS0003 | + | ID FL2FECNS0003 |
| − | KNApSAcK_ID C00008310 | + | KNApSAcK_ID C00008310 |
| − | NAME Agestricin C | + | NAME Agestricin C |
| − | CAS_RN 85563-75-3 | + | CAS_RN 85563-75-3 |
| − | FORMULA C19H20O7 | + | FORMULA C19H20O7 |
| − | EXACTMASS 360.120902994 | + | EXACTMASS 360.120902994 |
| − | AVERAGEMASS 360.3579 | + | AVERAGEMASS 360.3579 |
| − | SMILES O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1OC)O)OC | + | SMILES O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1OC)O)OC |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.3202 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3202 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2076 -0.1713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7639 0.1499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.8137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0950 -0.1713 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-0.6513 0.1499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 -0.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.1497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0281 1.1318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4611 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6513 -1.6786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8763 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2003 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 -1.7079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3115 1.7079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7529 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6775 0.4474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1776 1.3134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5950 0.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5950 0.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 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 5 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
2 18 1 0 0 0 0
3 19 1 0 0 0 0
19 20 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
1 23 1 0 0 0 0
23 24 1 0 0 0 0
14 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 25 26
M SBL 4 1 27
M SMT 4 OCH3
M SVB 4 27 2.1618 1.1317
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 23 24
M SBL 3 1 25
M SMT 3 OCH3
M SVB 3 25 -2.6775 0.4474
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 23
M SMT 2 OCH3
M SVB 2 23 1.3115 1.7079
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 21
M SMT 1 OCH3
M SVB 1 21 -2.2003 -1.2954
S SKP 8
ID FL2FECNS0003
KNApSAcK_ID C00008310
NAME Agestricin C
CAS_RN 85563-75-3
FORMULA C19H20O7
EXACTMASS 360.120902994
AVERAGEMASS 360.3579
SMILES O(C(c(c3)cc(OC)c(OC)c3)2)c(c(C(=O)C2)1)cc(c(c1OC)O)OC
M END
