Mol:FL5FE9NS0008
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4348 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4348 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5464 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5464 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0543 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0543 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4507 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4507 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3391 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3391 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8312 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8312 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0414 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0414 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6450 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6450 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7566 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7566 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2645 0.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2645 0.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0456 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0456 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3600 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3600 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8615 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8615 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4767 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4767 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5904 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5904 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0889 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0889 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4737 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4737 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1658 -1.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1658 -1.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1865 -0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1865 -0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6792 0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6792 0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0212 1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0212 1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4111 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4111 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1771 -2.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1771 -2.1776 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 8 23 1 0 0 0 0 | + | 8 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 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 0.8237 -0.6973 | + | M SVB 3 25 0.8237 -0.6973 |
| − | 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 -1.9576 0.77 | + | M SVB 2 23 -1.9576 0.77 |
| − | 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 -2.3149 -0.3996 | + | M SVB 1 21 -2.3149 -0.3996 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FE9NS0008 | + | ID FL5FE9NS0008 |
| − | KNApSAcK_ID C00004549 | + | KNApSAcK_ID C00004549 |
| − | NAME Alnustin | + | NAME Alnustin |
| − | CAS_RN 32483-98-0 | + | CAS_RN 32483-98-0 |
| − | FORMULA C18H16O6 | + | FORMULA C18H16O6 |
| − | EXACTMASS 328.094688244 | + | EXACTMASS 328.094688244 |
| − | AVERAGEMASS 328.31604 | + | AVERAGEMASS 328.31604 |
| − | SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C(c(c2)cccc2)1)OC)=O | + | SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C(c(c2)cccc2)1)OC)=O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
-1.4348 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5464 -0.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0543 -0.9185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4507 -0.6988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3391 -0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8312 0.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0414 -1.1117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6450 -0.8920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7566 -0.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2645 0.1536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0456 -1.6049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3600 -0.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8615 -0.4606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4767 -0.2367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5904 0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0889 0.8290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4737 0.6050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1658 -1.5508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1865 -0.1752 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6560 -0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6792 0.7984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0212 1.7381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4111 -1.5348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1771 -2.1776 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
2 19 1 0 0 0 0
19 20 1 0 0 0 0
1 21 1 0 0 0 0
21 22 1 0 0 0 0
8 23 1 0 0 0 0
23 24 1 0 0 0 0
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 0.8237 -0.6973
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 -1.9576 0.77
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 -2.3149 -0.3996
S SKP 8
ID FL5FE9NS0008
KNApSAcK_ID C00004549
NAME Alnustin
CAS_RN 32483-98-0
FORMULA C18H16O6
EXACTMASS 328.094688244
AVERAGEMASS 328.31604
SMILES c(c3OC)c(O1)c(c(c3OC)O)C(C(=C(c(c2)cccc2)1)OC)=O
M END
