Mol:FL1C1ANP0001
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 26 0 0 0 0 0 0 0 0999 V2000 | + | 24 26 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.5780 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5780 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5780 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5780 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1343 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1343 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6906 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6906 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6906 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6906 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1343 0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1343 0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6790 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6790 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1227 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1227 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2351 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2351 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7960 -0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7960 -0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2351 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2351 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7960 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7960 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3487 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3487 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9013 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9013 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9013 -0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9013 -0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3487 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3487 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4540 0.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4540 0.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2469 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2469 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8032 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8032 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8032 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8032 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2469 0.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2469 0.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3422 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3422 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4540 0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4540 0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3487 -1.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3487 -1.0543 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 |
| − | 14 17 1 0 0 0 0 | + | 14 17 1 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 18 19 2 0 0 0 0 | + | 18 19 2 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 5 1 0 0 0 0 | + | 21 5 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 22 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1ANP0001 | + | ID FL1C1ANP0001 |
| − | KNApSAcK_ID C00007059 | + | KNApSAcK_ID C00007059 |
| − | NAME Kanzonol B | + | NAME Kanzonol B |
| − | CAS_RN 155233-19-5 | + | CAS_RN 155233-19-5 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES c(c32)cc(cc(C=CC(O3)(C)C)2)C=CC(=O)c(c(O)1)ccc(O)c1 | + | SMILES c(c32)cc(cc(C=CC(O3)(C)C)2)C=CC(=O)c(c(O)1)ccc(O)c1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
24 26 0 0 0 0 0 0 0 0999 V2000
0.5780 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5780 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1343 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6906 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6906 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1343 0.8537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6790 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1227 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2351 -0.4309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7960 -0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2351 -1.0716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7960 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3487 0.8599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9013 0.5409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9013 -0.0973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3487 -0.4163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4540 0.8599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2469 -0.4310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 -0.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8032 0.5326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2469 0.8537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3422 1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4540 0.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3487 -1.0543 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
14 17 1 0 0 0 0
4 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 5 1 0 0 0 0
20 22 1 0 0 0 0
20 23 1 0 0 0 0
16 24 1 0 0 0 0
S SKP 8
ID FL1C1ANP0001
KNApSAcK_ID C00007059
NAME Kanzonol B
CAS_RN 155233-19-5
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(c32)cc(cc(C=CC(O3)(C)C)2)C=CC(=O)c(c(O)1)ccc(O)c1
M END
