Mol:FLIDBANP0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4954 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4954 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4954 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4954 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9391 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9391 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3828 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3828 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3828 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3828 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9391 2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9391 2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1736 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1736 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7299 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7299 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7299 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7299 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1736 2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1736 2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2859 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2859 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8807 -0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8807 -0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4755 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4755 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4755 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4755 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8807 1.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8807 1.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1794 0.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1794 0.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0517 2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0517 2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6080 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6080 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6080 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6080 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0517 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0517 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6080 2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6080 2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0697 1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0697 1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0697 -0.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0697 -0.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8807 -0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8807 -0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4749 -1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4749 -1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4749 -1.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4749 -1.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8819 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8819 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0679 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0679 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3755 0.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3755 0.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6610 0.2201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6610 0.2201 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 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 2 1 0 0 0 0 | + | 21 2 1 0 0 0 0 |
| − | 19 22 1 0 0 0 0 | + | 19 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 34 -5.8670 5.2674 | + | M SBV 1 34 -5.8670 5.2674 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDBANP0003 | + | ID FLIDBANP0003 |
| − | KNApSAcK_ID C00009674 | + | KNApSAcK_ID C00009674 |
| − | NAME Gangetin | + | NAME Gangetin |
| − | CAS_RN 32986-79-1 | + | CAS_RN 32986-79-1 |
| − | FORMULA C26H28O5 | + | FORMULA C26H28O5 |
| − | EXACTMASS 420.193674006 | + | EXACTMASS 420.193674006 |
| − | AVERAGEMASS 420.49752 | + | AVERAGEMASS 420.49752 |
| − | SMILES c(c1)c(C52)c(OC(c(c4OC5)c(c(c3c4)C=CC(O3)(C)C)OC)2)c(c(O)1)CC=C(C)C | + | SMILES c(c1)c(C52)c(OC(c(c4OC5)c(c(c3c4)C=CC(O3)(C)C)OC)2)c(c(O)1)CC=C(C)C |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-1.4954 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4954 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9391 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3828 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3828 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9391 2.0778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1736 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7299 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7299 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1736 2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2859 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8807 -0.2370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4755 0.1064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4755 0.7932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8807 1.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1794 0.1067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 2.0778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6080 1.7567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6080 1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0517 0.7931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6080 2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0697 1.4901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0697 -0.2366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8807 -0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4749 -1.2661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4749 -1.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8819 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0679 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3755 0.6326 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6610 0.2201 0.0000 C 0 0 0 0 0 0 0 0 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
8 11 1 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 16 1 0 0 0 0
16 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 2 1 0 0 0 0
19 22 1 0 0 0 0
19 23 1 0 0 0 0
14 24 1 0 0 0 0
13 25 1 0 0 0 0
25 26 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
3 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 34
M SMT 1 OCH3
M SBV 1 34 -5.8670 5.2674
S SKP 8
ID FLIDBANP0003
KNApSAcK_ID C00009674
NAME Gangetin
CAS_RN 32986-79-1
FORMULA C26H28O5
EXACTMASS 420.193674006
AVERAGEMASS 420.49752
SMILES c(c1)c(C52)c(OC(c(c4OC5)c(c(c3c4)C=CC(O3)(C)C)OC)2)c(c(O)1)CC=C(C)C
M END
