Mol:FL7DAAGO0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0465 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0465 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0465 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0465 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4902 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4902 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0661 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0661 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0661 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0661 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4902 1.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4902 1.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6224 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6224 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1787 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1787 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1787 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1787 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6224 1.2067 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 | + | 0.6224 1.2067 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7348 1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7348 1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3018 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3018 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8687 1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8687 1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8687 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8687 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3018 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3018 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7348 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7348 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4356 2.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4356 2.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6026 1.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6026 1.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4902 -0.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4902 -0.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8591 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8591 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3434 -1.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3434 -1.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6009 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6009 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8845 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8845 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4051 -0.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4051 -0.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1636 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1636 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4356 -1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4356 -1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1472 -1.8023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1472 -1.8023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1755 -2.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1755 -2.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4591 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4591 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7446 -0.8234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7446 -0.8234 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 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 10 2 0 0 0 0 | + | 9 10 2 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 21 1 1 0 0 0 | + | 20 21 1 1 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 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 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 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 29 30 | + | M SAL 1 2 29 30 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 32 -5.4011 5.5910 | + | M SBV 1 32 -5.4011 5.5910 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL7DAAGS0001 | + | ID FL7DAAGS0001 |
| − | KNApSAcK_ID C00006620 | + | KNApSAcK_ID C00006620 |
| − | NAME Gesnerin | + | NAME Gesnerin |
| − | CAS_RN 19045-96-6 | + | CAS_RN 19045-96-6 |
| − | FORMULA C21H21O9 | + | FORMULA C21H21O9 |
| − | EXACTMASS 417.11855727 | + | EXACTMASS 417.11855727 |
| − | AVERAGEMASS 417.38604 | + | AVERAGEMASS 417.38604 |
| − | SMILES C(C1Oc(c4)c(c(cc(O)4)3)ccc([o+1]3)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c4)c(c(cc(O)4)3)ccc([o+1]3)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.0465 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0465 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4902 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0661 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0661 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4902 1.2067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6224 -0.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1787 0.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1787 0.8855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6224 1.2067 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
1.7348 1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3018 0.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8687 1.2065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8687 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3018 2.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7348 1.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4356 2.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6026 1.2065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4902 -0.7202 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8591 -1.0825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3434 -1.7631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6009 -1.4744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8845 -1.4667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4051 -0.9459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1636 -1.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4356 -1.4154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1472 -1.8023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1755 -2.1886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4591 -0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7446 -0.8234 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 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
14 17 1 0 0 0 0
1 18 1 0 0 0 0
3 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 19 1 0 0 0 0
25 29 1 0 0 0 0
29 30 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 29 30
M SBL 1 1 32
M SMT 1 ^CH2OH
M SBV 1 32 -5.4011 5.5910
S SKP 8
ID FL7DAAGS0001
KNApSAcK_ID C00006620
NAME Gesnerin
CAS_RN 19045-96-6
FORMULA C21H21O9
EXACTMASS 417.11855727
AVERAGEMASS 417.38604
SMILES C(C1Oc(c4)c(c(cc(O)4)3)ccc([o+1]3)c(c2)ccc(O)c2)(O)C(O)C(O)C(O1)CO
M END
