Mol:FLIAEAGS0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4594 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4594 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9031 0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9031 0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3468 0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3468 0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2093 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2093 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2093 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2093 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7861 -0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7861 -0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3628 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3628 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3628 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3628 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7861 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7861 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9029 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9029 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3468 -0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3468 -0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7861 -0.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7861 -0.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9391 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9391 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9391 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9391 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4905 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4905 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0418 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0418 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0418 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0418 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4905 -0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4905 -0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5633 0.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.5633 0.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.2170 0.3358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.2170 0.3358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.7184 0.5297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.7184 0.5297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.1988 0.5240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.1988 0.5240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.5869 0.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5869 0.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0963 0.7017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.0963 0.7017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.9503 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9503 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5438 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5438 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4328 0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4328 0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3573 -0.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3573 -0.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9078 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9078 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7738 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7738 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2957 1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2957 1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2510 1.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2510 1.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6173 0.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6173 0.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6173 -0.6994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6173 -0.6994 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 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 4 1 0 0 0 0 | + | 9 4 1 0 0 0 0 |
| − | 2 10 1 0 0 0 0 | + | 2 10 1 0 0 0 0 |
| − | 10 11 2 0 0 0 0 | + | 10 11 2 0 0 0 0 |
| − | 11 5 1 0 0 0 0 | + | 11 5 1 0 0 0 0 |
| − | 6 12 2 0 0 0 0 | + | 6 12 2 0 0 0 0 |
| − | 7 13 1 0 0 0 0 | + | 7 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 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 13 1 0 0 0 0 | + | 18 13 1 0 0 0 0 |
| − | 19 20 1 1 0 0 0 | + | 19 20 1 1 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 22 21 1 1 0 0 0 | + | 22 21 1 1 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 25 1 0 0 0 0 | + | 19 25 1 0 0 0 0 |
| − | 20 26 1 0 0 0 0 | + | 20 26 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 1 1 0 0 0 0 | + | 22 1 1 0 0 0 0 |
| − | 11 28 1 0 0 0 0 | + | 11 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 10 33 1 0 0 0 0 | + | 10 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 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 31 32 | + | M SAL 3 2 31 32 |
| − | M SBL 3 1 34 | + | M SBL 3 1 34 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 34 -3.2957 1.5785 | + | M SVB 3 34 -3.2957 1.5785 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 33 34 | + | M SAL 2 2 33 34 |
| − | M SBL 2 1 36 | + | M SBL 2 1 36 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 36 -1.6173 0.1255 | + | M SVB 2 36 -1.6173 0.1255 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 32 3.2359 -1.166 | + | M SVB 1 32 3.2359 -1.166 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIAEAGS0004 | + | ID FLIAEAGS0004 |
| − | KNApSAcK_ID C00010125 | + | KNApSAcK_ID C00010125 |
| − | NAME Irisolidone 7-O-glucoside;Kakkalidone | + | NAME Irisolidone 7-O-glucoside;Kakkalidone |
| − | CAS_RN 6009-88-7 | + | CAS_RN 6009-88-7 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)OC)O | + | SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)OC)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-1.4594 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9031 0.6754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3468 0.9966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2093 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2093 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7861 -0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3628 0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3628 0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7861 1.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9029 0.0334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3468 -0.2876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7861 -0.9889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9391 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9391 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4905 -1.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0418 -0.9598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0418 -0.3231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4905 -0.0048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5633 0.7929 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.2170 0.3358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.7184 0.5297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.1988 0.5240 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.5869 0.8846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0963 0.7017 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.9503 1.0164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5438 -0.0945 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4328 0.0501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3573 -0.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9078 -1.4598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7738 -1.9599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2957 1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2510 1.8740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6173 0.1255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6173 -0.6994 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 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 4 1 0 0 0 0
2 10 1 0 0 0 0
10 11 2 0 0 0 0
11 5 1 0 0 0 0
6 12 2 0 0 0 0
7 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
19 25 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 1 1 0 0 0 0
11 28 1 0 0 0 0
16 29 1 0 0 0 0
29 30 1 0 0 0 0
24 31 1 0 0 0 0
31 32 1 0 0 0 0
10 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 31 32
M SBL 3 1 34
M SMT 3 CH2OH
M SVB 3 34 -3.2957 1.5785
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 33 34
M SBL 2 1 36
M SMT 2 OCH3
M SVB 2 36 -1.6173 0.1255
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 OCH3
M SVB 1 32 3.2359 -1.166
S SKP 8
ID FLIAEAGS0004
KNApSAcK_ID C00010125
NAME Irisolidone 7-O-glucoside;Kakkalidone
CAS_RN 6009-88-7
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES COc(c3O[C@@H]([C@@H](O)4)OC(CO)[C@@H]([C@@H]4O)O)c(c(C1=O)c(c3)OC=C1c(c2)ccc(c2)OC)O
M END
