Mol:FL3F1ANF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 22 25 0 0 0 0 0 0 0 0999 V2000 | + | 22 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0603 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0603 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0603 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0603 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5040 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5040 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9477 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9477 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9477 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9477 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5040 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5040 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3914 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3914 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1650 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1650 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1650 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1650 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3914 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3914 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3914 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3914 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7210 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7210 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2880 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2880 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8550 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8550 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8550 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8550 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2880 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2880 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7210 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7210 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6712 0.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6712 0.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0487 -0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0487 -0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6712 -0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6712 -0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2641 1.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2641 1.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0487 0.9403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0487 0.9403 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 2 1 0 0 0 0 | + | 20 2 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 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 21 22 | + | M SAL 1 2 21 22 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 24 -7.2158 8.1395 | + | M SBV 1 24 -7.2158 8.1395 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F1ANF0001 | + | ID FL3F1ANF0001 |
| − | KNApSAcK_ID C00004050 | + | KNApSAcK_ID C00004050 |
| − | NAME Glabone | + | NAME Glabone |
| − | CAS_RN 113807-95-7 | + | CAS_RN 113807-95-7 |
| − | FORMULA C18H12O4 | + | FORMULA C18H12O4 |
| − | EXACTMASS 292.073558872 | + | EXACTMASS 292.073558872 |
| − | AVERAGEMASS 292.28548 | + | AVERAGEMASS 292.28548 |
| − | SMILES c(C(=C4)Oc(c(C(=O)4)3)cc(c2c3)occ2)(c1)ccc(OC)c1 | + | SMILES c(C(=C4)Oc(c(C(=O)4)3)cc(c2c3)occ2)(c1)ccc(OC)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
22 25 0 0 0 0 0 0 0 0999 V2000
-2.0603 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0603 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5040 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9477 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9477 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5040 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3914 -0.8829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1650 -0.5617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1650 0.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3914 0.4018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3914 -1.3837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7210 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2880 0.0744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8550 0.4017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8550 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2880 1.3837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7210 1.0564 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 0.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0487 -0.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6712 -0.7602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2641 1.1952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0487 0.9403 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
1 18 1 0 0 0 0
18 19 1 0 0 0 0
19 20 2 0 0 0 0
20 2 1 0 0 0 0
15 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 21 22
M SBL 1 1 24
M SMT 1 OCH3
M SBV 1 24 -7.2158 8.1395
S SKP 8
ID FL3F1ANF0001
KNApSAcK_ID C00004050
NAME Glabone
CAS_RN 113807-95-7
FORMULA C18H12O4
EXACTMASS 292.073558872
AVERAGEMASS 292.28548
SMILES c(C(=C4)Oc(c(C(=O)4)3)cc(c2c3)occ2)(c1)ccc(OC)c1
M END
