Mol:FL5FFAGS0006
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.4949 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4949 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4949 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4949 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9386 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9386 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3823 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3823 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3823 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3823 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9386 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9386 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1740 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1740 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7303 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7303 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7303 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7303 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1740 -0.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1740 -0.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1740 -2.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1740 -2.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2864 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2864 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8534 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8534 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4203 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4203 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4203 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4203 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8534 0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8534 0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2864 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2864 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0510 -0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0510 -0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1637 -1.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1637 -1.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9386 -2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9386 -2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9046 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9046 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2462 2.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2462 2.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5307 1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5307 1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9976 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9976 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6845 0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6845 0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5210 1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5210 1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0544 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0544 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7675 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7675 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9046 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9046 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3458 0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3458 0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9386 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9386 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8106 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8106 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0138 1.8245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0138 1.8245 0.0000 O 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 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 21 15 1 0 0 0 0 | + | 21 15 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 6 31 1 0 0 0 0 | + | 6 31 1 0 0 0 0 |
| − | 31 25 1 0 0 0 0 | + | 31 25 1 0 0 0 0 |
| − | 27 32 1 0 0 0 0 | + | 27 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 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 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SBV 1 35 -6.6096 3.5232 | + | M SBV 1 35 -6.6096 3.5232 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFAGS0006 | + | ID FL5FFAGS0006 |
| − | KNApSAcK_ID C00005341 | + | KNApSAcK_ID C00005341 |
| − | NAME Herbacetin 8-glucoside | + | NAME Herbacetin 8-glucoside |
| − | CAS_RN 11021-22-0 | + | CAS_RN 11021-22-0 |
| − | FORMULA C21H20O12 | + | FORMULA C21H20O12 |
| − | EXACTMASS 464.095476104 | + | EXACTMASS 464.095476104 |
| − | AVERAGEMASS 464.37629999999996 | + | AVERAGEMASS 464.37629999999996 |
| − | SMILES c(O)(c4)c(c(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)OC(C(O)1)OC(CO)C(O)C1O | + | SMILES c(O)(c4)c(c(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)OC(C(O)1)OC(CO)C(O)C1O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-1.4949 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4949 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9386 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3823 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3823 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9386 -0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1740 -1.7473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7303 -1.4261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7303 -0.7838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1740 -0.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1740 -2.2481 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2864 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8534 -0.7900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4203 -0.4627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4203 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8534 0.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2864 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0510 -0.4627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1637 -1.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9386 -2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9046 0.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2462 2.0885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5307 1.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9976 0.9855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6845 0.4565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5210 1.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0544 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7675 2.3894 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9046 1.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3458 0.3630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9386 0.1795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8106 2.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0138 1.8245 0.0000 O 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
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
8 19 1 0 0 0 0
3 20 1 0 0 0 0
21 15 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
6 31 1 0 0 0 0
31 25 1 0 0 0 0
27 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 CH2OH
M SBV 1 35 -6.6096 3.5232
S SKP 8
ID FL5FFAGS0006
KNApSAcK_ID C00005341
NAME Herbacetin 8-glucoside
CAS_RN 11021-22-0
FORMULA C21H20O12
EXACTMASS 464.095476104
AVERAGEMASS 464.37629999999996
SMILES c(O)(c4)c(c(c(c4O)3)OC(=C(C3=O)O)c(c2)ccc(O)c2)OC(C(O)1)OC(CO)C(O)C1O
M END
