Mol:FL1C28NI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 32 0 0 0 0 0 0 0 0999 V2000 | + | 31 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.3262 0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3262 0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3262 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3262 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8825 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8825 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4388 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4388 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4388 0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4388 0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8825 0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8825 0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1930 -0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1930 -0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7493 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7493 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6369 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6369 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0760 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0760 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6369 -1.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6369 -1.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0760 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0760 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5233 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5233 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0293 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0293 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0293 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0293 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5233 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5233 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5233 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5233 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5819 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5819 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8825 -1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8825 -1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1344 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1344 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6869 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6869 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2382 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2382 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6869 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6869 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7884 -0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7884 -0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3385 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3385 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8887 -0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8887 -0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4388 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4388 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8887 -1.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8887 -1.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5819 0.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5819 0.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7996 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7996 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5140 0.8503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5140 0.8503 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 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 9 11 2 0 0 0 0 | + | 9 11 2 0 0 0 0 |
| − | 2 8 1 0 0 0 0 | + | 2 8 1 0 0 0 0 |
| − | 10 12 2 0 0 0 0 | + | 10 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 10 1 0 0 0 0 | + | 16 10 1 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 18 20 1 0 0 0 0 | + | 18 20 1 0 0 0 0 |
| − | 20 21 2 0 0 0 0 | + | 20 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 2 0 0 0 0 | + | 25 26 2 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 14 29 1 0 0 0 0 | + | 14 29 1 0 0 0 0 |
| − | 13 30 1 0 0 0 0 | + | 13 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 31 | + | M SBL 1 1 31 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 31 -6.8709 2.9773 | + | M SBV 1 31 -6.8709 2.9773 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C28NI0001 | + | ID FL1C28NI0001 |
| − | KNApSAcK_ID C00007142 | + | KNApSAcK_ID C00007142 |
| − | NAME 5-Deoxyhomoflemingin | + | NAME 5-Deoxyhomoflemingin |
| − | CAS_RN 25146-22-9 | + | CAS_RN 25146-22-9 |
| − | FORMULA C26H30O5 | + | FORMULA C26H30O5 |
| − | EXACTMASS 422.20932407 | + | EXACTMASS 422.20932407 |
| − | AVERAGEMASS 422.5134 | + | AVERAGEMASS 422.5134 |
| − | SMILES c(c1C=CC(=O)c(c(O)2)cc(c(c2CC=C(CCC=C(C)C)C)O)OC)cccc(O)1 | + | SMILES c(c1C=CC(=O)c(c(O)2)cc(c(c2CC=C(CCC=C(C)C)C)O)OC)cccc(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 32 0 0 0 0 0 0 0 0999 V2000
3.3262 0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8825 -0.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4388 -0.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4388 0.3428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8825 0.6640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1930 -0.2789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7493 -0.6001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6369 -0.6000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0760 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6369 -1.2407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0760 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5233 0.6908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0293 0.3718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0293 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5233 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5233 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5819 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8825 -1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1344 -0.2664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6869 -0.5854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2382 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6869 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7884 -0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3385 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8887 -0.5847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4388 -0.2671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8887 -1.2199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5819 0.6908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7996 1.2628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5140 0.8503 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
7 8 2 0 0 0 0
7 9 1 0 0 0 0
9 10 1 0 0 0 0
9 11 2 0 0 0 0
2 8 1 0 0 0 0
10 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 10 1 0 0 0 0
16 17 1 0 0 0 0
15 18 1 0 0 0 0
3 19 1 0 0 0 0
18 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
22 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
14 29 1 0 0 0 0
13 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 31
M SMT 1 OCH3
M SBV 1 31 -6.8709 2.9773
S SKP 8
ID FL1C28NI0001
KNApSAcK_ID C00007142
NAME 5-Deoxyhomoflemingin
CAS_RN 25146-22-9
FORMULA C26H30O5
EXACTMASS 422.20932407
AVERAGEMASS 422.5134
SMILES c(c1C=CC(=O)c(c(O)2)cc(c(c2CC=C(CCC=C(C)C)C)O)OC)cccc(O)1
M END
