Mol:FL2F1CNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 24 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5297 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5297 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0088 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0088 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4879 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4879 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4879 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4879 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0088 0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0088 0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5297 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5297 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0330 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0330 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5538 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5538 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5538 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5538 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0330 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0330 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0742 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0742 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0330 -1.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0330 -1.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6086 -0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6086 -0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1429 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1429 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1429 0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1429 0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6086 1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6086 1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0742 0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0742 0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6015 1.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6015 1.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0088 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0088 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5297 1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5297 1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0506 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0506 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0506 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0506 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2357 1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2357 1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6015 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6015 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 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 |
| − | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1CNP0002 | + | ID FL2F1CNP0002 |
| − | KNApSAcK_ID C00008399 | + | KNApSAcK_ID C00008399 |
| − | NAME 4'-Hydroxyisolonchocarpin | + | NAME 4'-Hydroxyisolonchocarpin |
| − | CAS_RN 78316-30-0 | + | CAS_RN 78316-30-0 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)c(c(cc3)2)C=CC(C)(C)O2)c1 | + | SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)c(c(cc3)2)C=CC(C)(C)O2)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/
24 27 0 0 0 0 0 0 0 0999 V2000
-1.5297 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0088 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4879 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4879 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0088 0.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5297 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5538 -0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5538 -0.0834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0742 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 -1.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6086 -0.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 0.2170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1429 0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6086 1.1426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0742 0.8340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6015 1.2469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0088 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5297 1.1195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0506 0.8188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0506 0.2173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2357 1.5095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6015 0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 1 0 0 0 0
10 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 11 1 0 0 0 0
15 18 1 0 0 0 0
5 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
22 6 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
S SKP 8
ID FL2F1CNP0002
KNApSAcK_ID C00008399
NAME 4'-Hydroxyisolonchocarpin
CAS_RN 78316-30-0
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES Oc(c1)ccc(C(C4)Oc(c3C(=O)4)c(c(cc3)2)C=CC(C)(C)O2)c1
M END
