Mol:FL2F1ANP0001
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 25 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.4224 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4224 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4224 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4224 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9220 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9220 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4215 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4215 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4215 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4215 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9220 0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9220 0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9211 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9211 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4206 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4206 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4206 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4206 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9211 0.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9211 0.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0795 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0795 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5939 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5939 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1082 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1082 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1082 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1082 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5939 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5939 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0795 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0795 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6226 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6226 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1369 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1369 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1369 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1369 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6226 1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6226 1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9225 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9225 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7970 1.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7970 1.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4206 0.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4206 0.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9211 -1.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9211 -1.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9225 0.2971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9225 0.2971 0.0000 O 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 |
| − | 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 13 17 1 0 0 0 0 | + | 13 17 1 0 0 0 0 |
| − | 17 18 2 0 0 0 0 | + | 17 18 2 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 19 21 1 6 0 0 0 | + | 19 21 1 6 0 0 0 |
| − | 19 22 1 1 0 0 0 | + | 19 22 1 1 0 0 0 |
| − | 9 23 1 1 0 0 0 | + | 9 23 1 1 0 0 0 |
| − | 7 24 2 0 0 0 0 | + | 7 24 2 0 0 0 0 |
| − | 1 25 1 0 0 0 0 | + | 1 25 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2F1ANP0001 | + | ID FL2F1ANP0001 |
| − | KNApSAcK_ID C00000935 | + | KNApSAcK_ID C00000935 |
| − | NAME Abyssinone I | + | NAME Abyssinone I |
| − | CAS_RN 77263-07-1 | + | CAS_RN 77263-07-1 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES c(c12)(ccc(C(C4)([H])Oc(c3C(=O)4)cc(O)cc3)c2)OC(C=C1)(C)C | + | SMILES c(c12)(ccc(C(C4)([H])Oc(c3C(=O)4)cc(O)cc3)c2)OC(C=C1)(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 28 0 0 0 0 0 0 0 0999 V2000
-2.4224 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4224 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9220 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4215 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4215 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9220 0.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9211 -0.8585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 -0.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9211 0.2973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0795 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1082 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1082 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5939 1.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0795 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6226 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1369 0.2971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1369 0.8910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6226 1.1880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9225 0.6805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7970 1.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4206 0.6889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9211 -1.2721 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9225 0.2971 0.0000 O 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
4 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 5 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
13 17 1 0 0 0 0
17 18 2 0 0 0 0
18 19 1 0 0 0 0
19 20 1 0 0 0 0
20 14 1 0 0 0 0
19 21 1 6 0 0 0
19 22 1 1 0 0 0
9 23 1 1 0 0 0
7 24 2 0 0 0 0
1 25 1 0 0 0 0
S SKP 8
ID FL2F1ANP0001
KNApSAcK_ID C00000935
NAME Abyssinone I
CAS_RN 77263-07-1
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(c12)(ccc(C(C4)([H])Oc(c3C(=O)4)cc(O)cc3)c2)OC(C=C1)(C)C
M END
