Mol:FL1CA9NI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 25 26 0 0 0 0 0 0 0 0999 V2000 | + | 25 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.2885 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2885 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2885 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2885 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8448 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8448 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4011 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4011 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4011 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4011 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8448 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8448 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0315 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0315 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5878 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5878 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4754 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4754 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0855 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0855 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4754 -1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4754 -1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0855 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0855 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6381 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6381 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1908 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1908 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1908 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1908 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6381 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6381 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6381 -1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6381 -1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2961 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2961 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7434 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7434 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4670 0.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4670 0.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8486 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8486 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4011 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4011 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8486 -1.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8486 -1.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5480 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5480 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0480 1.9816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0480 1.9816 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 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 18 21 2 0 0 0 0 | + | 18 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 |
| − | 14 24 1 0 0 0 0 | + | 14 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 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 24 25 | + | M SAL 1 2 24 25 |
| − | M SBL 1 1 25 | + | M SBL 1 1 25 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 25 -1.548 1.1156 | + | M SVB 1 25 -1.548 1.1156 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA9NI0002 | + | ID FL1CA9NI0002 |
| − | KNApSAcK_ID C00007081 | + | KNApSAcK_ID C00007081 |
| − | NAME Isoxanthohumol(Helichrysum) | + | NAME Isoxanthohumol(Helichrysum) |
| − | CAS_RN 72247-79-1 | + | CAS_RN 72247-79-1 |
| − | FORMULA C21H22O4 | + | FORMULA C21H22O4 |
| − | EXACTMASS 338.151809192 | + | EXACTMASS 338.151809192 |
| − | AVERAGEMASS 338.39698 | + | AVERAGEMASS 338.39698 |
| − | SMILES C(c(c1O)c(cc(c1C(=O)C=Cc(c2)cccc2)O)OC)C=C(C)C | + | SMILES C(c(c1O)c(cc(c1C(=O)C=Cc(c2)cccc2)O)OC)C=C(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
25 26 0 0 0 0 0 0 0 0999 V2000
2.2885 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2885 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4011 0.4886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8448 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0315 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5878 -0.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0855 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4754 -1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0855 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 0.8159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1908 0.4969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1908 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6381 -1.0985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2961 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7434 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4670 0.8159 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8486 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4011 -0.1413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8486 -1.0983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5480 1.1156 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0480 1.9816 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
17 16 1 0 0 0 0
18 19 1 0 0 0 0
19 15 1 0 0 0 0
12 20 1 0 0 0 0
18 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
14 24 1 0 0 0 0
24 25 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 24 25
M SBL 1 1 25
M SMT 1 OCH3
M SVB 1 25 -1.548 1.1156
S SKP 8
ID FL1CA9NI0002
KNApSAcK_ID C00007081
NAME Isoxanthohumol(Helichrysum)
CAS_RN 72247-79-1
FORMULA C21H22O4
EXACTMASS 338.151809192
AVERAGEMASS 338.39698
SMILES C(c(c1O)c(cc(c1C(=O)C=Cc(c2)cccc2)O)OC)C=C(C)C
M END
