Mol:FL1CAANP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.7689 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7689 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7689 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3252 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3252 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8815 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8815 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8815 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8815 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3252 0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3252 0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5120 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5120 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0683 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0683 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0441 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0441 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6051 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6051 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0441 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0441 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6051 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6051 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1577 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1577 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7103 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7103 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7103 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7103 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1577 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1577 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1577 -1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1577 -1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4378 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4378 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2630 0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2630 0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8156 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8156 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8156 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8156 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2630 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2630 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3682 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3682 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4378 -0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4378 -0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1577 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1577 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0527 0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0527 0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0527 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0527 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6052 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6052 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5999 0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5999 0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4402 1.5312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4402 1.5312 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 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 18 5 1 0 0 0 0 | + | 18 5 1 0 0 0 0 |
| − | 14 19 1 0 0 0 0 | + | 14 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 15 1 0 0 0 0 | + | 22 15 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 |
| − | 13 25 1 0 0 0 0 | + | 13 25 1 0 0 0 0 |
| − | 12 26 1 0 0 0 0 | + | 12 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 25 2 0 0 0 0 | + | 28 25 2 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CAANP0002 | + | ID FL1CAANP0002 |
| − | KNApSAcK_ID C00007103 | + | KNApSAcK_ID C00007103 |
| − | NAME Laxichalcone | + | NAME Laxichalcone |
| − | CAS_RN 138079-68-2 | + | CAS_RN 138079-68-2 |
| − | FORMULA C25H24O5 | + | FORMULA C25H24O5 |
| − | EXACTMASS 404.162373878 | + | EXACTMASS 404.162373878 |
| − | AVERAGEMASS 404.45506 | + | AVERAGEMASS 404.45506 |
| − | SMILES Oc(c1)ccc(C=CC(c(c(O)3)c(c2c(O4)c3C=CC4(C)C)OC(C=C2)(C)C)=O)c1 | + | SMILES Oc(c1)ccc(C=CC(c(c(O)3)c(c2c(O4)c3C=CC4(C)C)OC(C=C2)(C)C)=O)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/
30 33 0 0 0 0 0 0 0 0999 V2000
1.7689 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7689 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8815 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8815 0.0730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3252 0.3942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5120 -0.5694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0683 -0.8906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -0.8904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6051 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0441 -1.5312 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6051 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 0.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7103 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7103 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 -1.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4378 0.3942 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2630 0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8156 0.0813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8156 -0.5568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2630 -0.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3682 0.4003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4378 -0.2779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1577 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0527 0.4004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0527 1.0384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6052 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5999 0.6616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4402 1.5312 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
16 17 1 0 0 0 0
18 5 1 0 0 0 0
14 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 15 1 0 0 0 0
20 23 1 0 0 0 0
20 24 1 0 0 0 0
13 25 1 0 0 0 0
12 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 25 2 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
S SKP 8
ID FL1CAANP0002
KNApSAcK_ID C00007103
NAME Laxichalcone
CAS_RN 138079-68-2
FORMULA C25H24O5
EXACTMASS 404.162373878
AVERAGEMASS 404.45506
SMILES Oc(c1)ccc(C=CC(c(c(O)3)c(c2c(O4)c3C=CC4(C)C)OC(C=C2)(C)C)=O)c1
M END
