Mol:FLID1ANP0002
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 28 0 0 0 0 0 0 0 0999 V2000 | + | 24 28 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5019 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5019 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5019 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5019 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9456 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9456 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3893 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3893 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3893 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3893 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9456 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9456 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1670 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1670 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7233 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7233 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7233 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7233 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1670 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1670 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2794 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2794 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2794 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2794 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8742 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8742 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4690 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4690 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4690 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4690 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8742 0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8742 0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1729 -0.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1729 -0.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0632 -1.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0632 -1.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0582 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0582 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6145 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6145 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6145 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6145 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0582 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0582 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9978 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9978 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0632 0.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0632 0.6849 0.0000 C 0 0 0 0 0 0 0 0 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 |
| − | 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 1 0 0 0 0 | + | 7 17 1 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 12 17 1 0 0 0 0 | + | 12 17 1 0 0 0 0 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 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 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 2 1 0 0 0 0 | + | 22 2 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLID1ANP0002 | + | ID FLID1ANP0002 |
| − | KNApSAcK_ID C00009639 | + | KNApSAcK_ID C00009639 |
| − | NAME Neorautenol | + | NAME Neorautenol |
| − | CAS_RN 53766-52-2 | + | CAS_RN 53766-52-2 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES c(C53)(c(OCC3c(c4)c(O5)cc(O)c4)1)cc(C=2)c(OC(C2)(C)C)c1 | + | SMILES c(C53)(c(OCC3c(c4)c(O5)cc(O)c4)1)cc(C=2)c(OC(C2)(C)C)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 28 0 0 0 0 0 0 0 0999 V2000
-1.5019 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5019 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9456 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3893 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3893 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9456 1.1263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1670 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7233 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7233 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1670 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2794 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2794 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8742 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4690 -0.8451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4690 -0.1583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8742 0.1851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1729 -0.8449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0632 -1.1881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0582 1.1263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6145 0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6145 0.1628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0582 -0.1584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9978 1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0632 0.6849 0.0000 C 0 0 0 0 0 0 0 0 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
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
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 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 11 2 0 0 0 0
7 17 1 0 0 0 0
1 2 1 0 0 0 0
12 17 1 0 0 0 0
14 18 1 0 0 0 0
1 19 1 0 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 2 0 0 0 0
22 2 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
S SKP 8
ID FLID1ANP0002
KNApSAcK_ID C00009639
NAME Neorautenol
CAS_RN 53766-52-2
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(C53)(c(OCC3c(c4)c(O5)cc(O)c4)1)cc(C=2)c(OC(C2)(C)C)c1
M END
