Mol:FL1C18NP0001
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 32 0 0 0 0 0 0 0 0999 V2000 | + | 30 32 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.1992 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1992 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1992 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1992 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7555 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7555 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3118 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3118 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.3118 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.3118 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7555 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7555 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0660 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0660 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6223 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6223 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5099 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5099 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9489 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9489 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5099 -1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5099 -1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9489 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9489 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3963 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3963 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1563 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1563 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1563 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1563 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3963 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3963 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3963 -1.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3963 -1.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7089 -0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7089 -0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2602 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2602 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2602 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2602 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8103 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8103 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7555 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7555 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8719 -0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8719 -0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4828 0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4828 0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0924 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0924 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7021 0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7021 0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7021 1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7021 1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3118 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3118 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7555 1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7555 1.2845 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 |
| − | 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 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 |
| − | 3 23 1 0 0 0 0 | + | 3 23 1 0 0 0 0 |
| − | 21 18 1 0 0 0 0 | + | 21 18 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C18NP0001 | + | ID FL1C18NP0001 |
| − | KNApSAcK_ID C00007140 | + | KNApSAcK_ID C00007140 |
| − | NAME Flemiwallichin D | + | NAME Flemiwallichin D |
| − | CAS_RN 96657-91-9 | + | CAS_RN 96657-91-9 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES Oc(c3)c(cc(c3)O)C=CC(c(c2)c(c(c(c2)1)C=CC(CCC=C(C)C)(O1)C)O)=O | + | SMILES Oc(c3)c(cc(c3)O)C=CC(c(c2)c(c(c(c2)1)C=CC(CCC=C(C)C)(O1)C)O)=O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 32 0 0 0 0 0 0 0 0999 V2000
3.1992 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1992 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7555 -0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3118 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3118 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7555 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0660 -0.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6223 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 -0.6216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9489 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5099 -1.2624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9489 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 0.6692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1563 0.3501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1563 -0.2880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -0.6071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3963 -1.2451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 0.6691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7089 -0.6070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2602 -0.2887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2602 0.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8103 0.6642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7555 -1.2845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8719 -0.0066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4828 0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0924 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7021 0.3461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7021 1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3118 -0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7555 1.2845 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
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
14 18 1 0 0 0 0
15 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
3 23 1 0 0 0 0
21 18 1 0 0 0 0
21 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
6 30 1 0 0 0 0
S SKP 8
ID FL1C18NP0001
KNApSAcK_ID C00007140
NAME Flemiwallichin D
CAS_RN 96657-91-9
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES Oc(c3)c(cc(c3)O)C=CC(c(c2)c(c(c(c2)1)C=CC(CCC=C(C)C)(O1)C)O)=O
M END
