Mol:FL3FF8GS0010
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 |
| − | -1.8616 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8616 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8616 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8616 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1471 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1471 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4326 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4326 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4326 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4326 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1471 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1471 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2819 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2819 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9963 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9963 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9963 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9963 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2819 1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2819 1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7108 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7108 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4253 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4253 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1397 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1397 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1397 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1397 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4253 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4253 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7108 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7108 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2819 -1.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2819 -1.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5812 1.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5812 1.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4253 0.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4253 0.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1471 -1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1471 -1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1471 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1471 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4562 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4562 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2730 -1.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2730 -1.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6028 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6028 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2722 -0.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2722 -0.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4554 -0.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4554 -0.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1254 -1.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1254 -1.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5682 -1.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5682 -1.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0536 -1.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0536 -1.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5367 -2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5367 -2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7918 -2.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7918 -2.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9993 -1.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9993 -1.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2722 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2722 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6625 2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6625 2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 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 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 12 19 1 0 0 0 0 | + | 12 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 18 33 1 0 0 0 0 | + | 18 33 1 0 0 0 0 |
| − | 21 34 1 0 0 0 0 | + | 21 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FF8GS0010 | + | ID FL3FF8GS0010 |
| − | KNApSAcK_ID C00013653 | + | KNApSAcK_ID C00013653 |
| − | NAME Skullcapflavone I 2'-O-glucoside;2-[2-(beta-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one | + | NAME Skullcapflavone I 2'-O-glucoside;2-[2-(beta-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one |
| − | CAS_RN 175991-74-9 | + | CAS_RN 175991-74-9 |
| − | FORMULA C23H24O11 | + | FORMULA C23H24O11 |
| − | EXACTMASS 476.13186161 | + | EXACTMASS 476.13186161 |
| − | AVERAGEMASS 476.43006 | + | AVERAGEMASS 476.43006 |
| − | SMILES OC(C1O)C(Oc(c2)c(C(O4)=CC(=O)c(c43)c(O)cc(c3OC)OC)ccc2)OC(CO)C1O | + | SMILES OC(C1O)C(Oc(c2)c(C(O4)=CC(=O)c(c43)c(O)cc(c3OC)OC)ccc2)OC(CO)C1O |
M END | M END | ||
| − | |||
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
-1.8616 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8616 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1471 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4326 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4326 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1471 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2819 -0.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9963 0.0794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9963 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2819 1.3169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7108 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4253 0.9044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 1.3169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1397 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4253 2.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7108 2.1419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2819 -1.1581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5812 1.2514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4253 0.1443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1471 -1.1910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1471 2.0104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4562 -1.8758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2730 -1.9941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6028 -1.2376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2722 -0.7548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4554 -0.6364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1254 -1.3929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5682 -1.1536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0536 -1.3590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5367 -2.5544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7918 -2.1861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9993 -1.7684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2722 0.8524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6625 2.5258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 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
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 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 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
12 19 1 0 0 0 0
3 20 1 0 0 0 0
6 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 19 1 0 0 0 0
18 33 1 0 0 0 0
21 34 1 0 0 0 0
S SKP 8
ID FL3FF8GS0010
KNApSAcK_ID C00013653
NAME Skullcapflavone I 2'-O-glucoside;2-[2-(beta-D-Glucopyranosyloxy)phenyl]-5-hydroxy-7,8-dimethoxy-4H-1-benzopyran-4-one
CAS_RN 175991-74-9
FORMULA C23H24O11
EXACTMASS 476.13186161
AVERAGEMASS 476.43006
SMILES OC(C1O)C(Oc(c2)c(C(O4)=CC(=O)c(c43)c(O)cc(c3OC)OC)ccc2)OC(CO)C1O
M END
