Mol:FL3FCECS0001
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 |
| − | -1.1371 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1371 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1371 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1371 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5808 -1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5808 -1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0245 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0245 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0245 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0245 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5808 0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5808 0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5318 -1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5318 -1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0881 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0881 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0881 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0881 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5318 0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5318 0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5318 -1.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5318 -1.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5808 -1.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5808 -1.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7680 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7680 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3542 -0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3542 -0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9404 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9404 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9404 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9404 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3542 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3542 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7680 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7680 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6905 -1.0995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.6905 -1.0995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -3.1748 -1.6770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -3.1748 -1.6770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.6592 -1.3676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.6592 -1.3676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -1.9580 -1.4501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -1.9580 -1.4501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4530 -0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4530 -0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0098 -1.2645 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -3.0098 -1.2645 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -4.2407 -1.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2407 -1.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8172 -1.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8172 -1.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3498 -1.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3498 -1.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3542 1.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3542 1.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1917 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1917 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1501 -0.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1501 -0.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4943 0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4943 0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9942 1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9942 1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5262 1.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5262 1.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.2407 0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.2407 0.8142 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 |
| − | 3 12 1 0 0 0 0 | + | 3 12 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 |
| − | 9 13 1 0 0 0 0 | + | 9 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 |
| − | 2 22 1 0 0 0 0 | + | 2 22 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 17 28 1 0 0 0 0 | + | 17 28 1 0 0 0 0 |
| − | 24 29 1 0 0 0 0 | + | 24 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 1 31 1 0 0 0 0 | + | 1 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 16 33 1 0 0 0 0 | + | 16 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 29 30 | + | M SAL 3 2 29 30 |
| − | M SBL 3 1 32 | + | M SBL 3 1 32 |
| − | M SMT 3 CH2OH | + | M SMT 3 CH2OH |
| − | M SVB 3 32 -3.1917 -0.5013 | + | M SVB 3 32 -3.1917 -0.5013 |
| − | 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 3.5262 1.2267 | + | M SVB 2 36 3.5262 1.2267 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 34 | + | M SBL 1 1 34 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 34 -1.4943 0.4062 | + | M SVB 1 34 -1.4943 0.4062 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FCECS0001 | + | ID FL3FCECS0001 |
| − | KNApSAcK_ID C00006144 | + | KNApSAcK_ID C00006144 |
| − | NAME 6-C-Glucopyranosylpilloin;Pilloin 6-C-beta-D-glucoside;6-beta-D-Glucopyranosyl-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one | + | NAME 6-C-Glucopyranosylpilloin;Pilloin 6-C-beta-D-glucoside;6-beta-D-Glucopyranosyl-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 135625-46-6 | + | CAS_RN 135625-46-6 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES C(C(=O)2)=C(Oc(c3)c2c(O)c([C@H](O4)[C@@H](O)[C@H]([C@H](C4CO)O)O)c3OC)c(c1)ccc(c1O)OC | + | SMILES C(C(=O)2)=C(Oc(c3)c2c(O)c([C@H](O4)[C@@H](O)[C@H]([C@H](C4CO)O)O)c3OC)c(c1)ccc(c1O)OC |
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
-1.1371 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1371 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5808 -1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0245 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0245 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5808 0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5318 -1.1761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0881 -0.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0881 -0.2126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5318 0.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5318 -1.6770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5808 -1.8183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7680 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3542 -0.1269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9404 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9404 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3542 1.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7680 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6905 -1.0995 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-3.1748 -1.6770 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.6592 -1.3676 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.9580 -1.4501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4530 -0.9963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0098 -1.2645 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-4.2407 -1.4172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8172 -1.7595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3498 -1.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3542 1.9034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1917 -0.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1501 -0.2157 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4943 0.4062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9942 1.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5262 1.2267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2407 0.8142 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
3 12 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
9 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
2 22 1 0 0 0 0
21 27 1 0 0 0 0
17 28 1 0 0 0 0
24 29 1 0 0 0 0
29 30 1 0 0 0 0
1 31 1 0 0 0 0
31 32 1 0 0 0 0
16 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 29 30
M SBL 3 1 32
M SMT 3 CH2OH
M SVB 3 32 -3.1917 -0.5013
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 3.5262 1.2267
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 -1.4943 0.4062
S SKP 8
ID FL3FCECS0001
KNApSAcK_ID C00006144
NAME 6-C-Glucopyranosylpilloin;Pilloin 6-C-beta-D-glucoside;6-beta-D-Glucopyranosyl-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 135625-46-6
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES C(C(=O)2)=C(Oc(c3)c2c(O)c([C@H](O4)[C@@H](O)[C@H]([C@H](C4CO)O)O)c3OC)c(c1)ccc(c1O)OC
M END
