Mol:FLIDBANP0002
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 31 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8568 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8568 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8568 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8568 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3005 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3005 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7442 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7442 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7442 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7442 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3005 1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3005 1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1879 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1879 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3684 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3684 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3684 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3684 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1879 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1879 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9245 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9245 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9245 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9245 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5193 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5193 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1141 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1141 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1141 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1141 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5193 0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5193 0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1821 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1821 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4131 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4131 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9694 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9694 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9694 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9694 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4131 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4131 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9694 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9694 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4312 1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4312 1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7083 -0.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7083 -0.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5193 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5193 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1141 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1141 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7083 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7083 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4312 -1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4312 -1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7083 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7083 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7369 0.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7369 0.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0225 -0.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0225 -0.1335 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 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 24 1 0 0 0 0 | + | 27 24 1 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 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -6.4347 5.1200 | + | M SBV 1 35 -6.4347 5.1200 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIDBANP0002 | + | ID FLIDBANP0002 |
| − | KNApSAcK_ID C00009672 | + | KNApSAcK_ID C00009672 |
| − | NAME Gangetinin | + | NAME Gangetinin |
| − | CAS_RN 56280-23-0 | + | CAS_RN 56280-23-0 |
| − | FORMULA C26H26O5 | + | FORMULA C26H26O5 |
| − | EXACTMASS 418.178023942 | + | EXACTMASS 418.178023942 |
| − | AVERAGEMASS 418.48163999999997 | + | AVERAGEMASS 418.48163999999997 |
| − | SMILES C(=C6)c(c5OC)c(OC6(C)C)cc(c54)OCC(C43)c(c2)c(O3)c(c1c2)C=CC(C)(C)O1 | + | SMILES C(=C6)c(c5OC)c(OC6(C)C)cc(c54)OCC(C43)c(c2)c(O3)c(c1c2)C=CC(C)(C)O1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 36 0 0 0 0 0 0 0 0999 V2000
-1.8568 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8568 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3005 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7442 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7442 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3005 1.7243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1879 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3684 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3684 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1879 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9245 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9245 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5193 -0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1141 -0.2471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1141 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5193 0.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1821 -0.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4131 1.7243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9694 1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9694 0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4131 0.4395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9694 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4312 1.1365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7083 -0.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5193 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1141 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7083 -1.2773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4312 -1.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7083 -1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7369 0.2790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0225 -0.1335 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 2 0 0 0 0
26 27 1 0 0 0 0
27 24 1 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 35
M SMT 1 OCH3
M SBV 1 35 -6.4347 5.1200
S SKP 8
ID FLIDBANP0002
KNApSAcK_ID C00009672
NAME Gangetinin
CAS_RN 56280-23-0
FORMULA C26H26O5
EXACTMASS 418.178023942
AVERAGEMASS 418.48163999999997
SMILES C(=C6)c(c5OC)c(OC6(C)C)cc(c54)OCC(C43)c(c2)c(O3)c(c1c2)C=CC(C)(C)O1
M END
