Mol:FL5FFANS0019
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 28 0 0 0 0 0 0 0 0999 V2000 | + | 26 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0123 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0123 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0123 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0123 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4560 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4560 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8997 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8997 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8997 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8997 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4560 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4560 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3434 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3434 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2129 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2129 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2129 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2129 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3434 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3434 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3434 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3434 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7690 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7690 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3359 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3359 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9029 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9029 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9029 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9029 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3359 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3359 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7690 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7690 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7690 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7690 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4560 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4560 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4560 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4560 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0013 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0013 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5112 1.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5112 1.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0013 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0013 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4697 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4697 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3696 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3696 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8697 1.3343 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8697 1.3343 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 |
| − | 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 2 0 0 0 0 | + | 21 23 2 0 0 0 0 |
| − | 15 24 1 0 0 0 0 | + | 15 24 1 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 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 25 26 | + | M SAL 1 2 25 26 |
| − | M SBL 1 1 27 | + | M SBL 1 1 27 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 27 -2.3696 0.4683 | + | M SVB 1 27 -2.3696 0.4683 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFANS0019 | + | ID FL5FFANS0019 |
| − | KNApSAcK_ID C00004924 | + | KNApSAcK_ID C00004924 |
| − | NAME Pollenitin 8-acetate | + | NAME Pollenitin 8-acetate |
| − | CAS_RN 69306-84-9 | + | CAS_RN 69306-84-9 |
| − | FORMULA C18H14O8 | + | FORMULA C18H14O8 |
| − | EXACTMASS 358.068867424 | + | EXACTMASS 358.068867424 |
| − | AVERAGEMASS 358.29896 | + | AVERAGEMASS 358.29896 |
| − | SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)O)(c1)ccc(O)c1 | + | SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)O)(c1)ccc(O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 28 0 0 0 0 0 0 0 0999 V2000
-2.0123 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0123 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4560 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8997 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8997 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4560 0.1708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3434 -1.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2129 -0.7928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2129 -0.1504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3434 0.1708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3434 -1.6148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3359 -0.1567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9029 0.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9029 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3359 1.1527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 0.8253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7690 -1.1138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4560 -1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4560 0.8129 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0013 1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5112 1.3563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0013 1.7561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4697 1.1526 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3696 0.4683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8697 1.3343 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
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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 2 0 0 0 0
15 24 1 0 0 0 0
1 25 1 0 0 0 0
25 26 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 25 26
M SBL 1 1 27
M SMT 1 OCH3
M SVB 1 27 -2.3696 0.4683
S SKP 8
ID FL5FFANS0019
KNApSAcK_ID C00004924
NAME Pollenitin 8-acetate
CAS_RN 69306-84-9
FORMULA C18H14O8
EXACTMASS 358.068867424
AVERAGEMASS 358.29896
SMILES c(C(O2)=C(C(c(c(O)3)c2c(c(OC)c3)OC(C)=O)=O)O)(c1)ccc(O)c1
M END
