Mol:FL1C1ANP0005
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 |
| − | 1.4979 0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4979 0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4979 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4979 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0542 -0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0542 -0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6105 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6105 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6105 0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6105 0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0542 0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0542 0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2409 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2409 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7972 -0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7972 -0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3152 -0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3152 -0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8761 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8761 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3152 -1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3152 -1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8761 0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8761 0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4288 0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4288 0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9814 0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9814 0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9814 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9814 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4288 -0.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4288 -0.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1668 0.4033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1668 0.4033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4288 -1.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4288 -1.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4288 1.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4288 1.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9814 1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9814 1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5341 1.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5341 1.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5341 0.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5341 0.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0085 1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0085 1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1668 0.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1668 0.8781 0.0000 C 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 |
| − | 17 5 1 0 0 0 0 | + | 17 5 1 0 0 0 0 |
| − | 18 16 1 0 0 0 0 | + | 18 16 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 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 14 1 0 0 0 0 | + | 22 14 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 FL1C1ANP0005 | + | ID FL1C1ANP0005 |
| − | KNApSAcK_ID C00007069 | + | KNApSAcK_ID C00007069 |
| − | NAME Bavachromene | + | NAME Bavachromene |
| − | CAS_RN 41743-38-3 | + | CAS_RN 41743-38-3 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES Oc(c3)ccc(c3)C=CC(c(c2)c(O)cc(c12)OC(C=C1)(C)C)=O | + | SMILES Oc(c3)ccc(c3)C=CC(c(c2)c(O)cc(c12)OC(C=C1)(C)C)=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/
24 26 0 0 0 0 0 0 0 0999 V2000
1.4979 0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4979 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0542 -0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6105 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6105 0.0821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0542 0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2409 -0.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7972 -0.8814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3152 -0.8813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8761 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3152 -1.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8761 0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4288 0.4095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9814 0.0904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9814 -0.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4288 -0.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1668 0.4033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4288 -1.5049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4288 1.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9814 1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5341 1.0476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5341 0.4095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0085 1.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1668 0.8781 0.0000 C 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
17 5 1 0 0 0 0
18 16 1 0 0 0 0
13 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 14 1 0 0 0 0
21 23 1 0 0 0 0
21 24 1 0 0 0 0
S SKP 8
ID FL1C1ANP0005
KNApSAcK_ID C00007069
NAME Bavachromene
CAS_RN 41743-38-3
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES Oc(c3)ccc(c3)C=CC(c(c2)c(O)cc(c12)OC(C=C1)(C)C)=O
M END
