Mol:FL1CA8NP0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.2879 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2879 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2879 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2879 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8442 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8442 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4005 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4005 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4005 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4005 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8442 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8442 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0309 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0309 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5872 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5872 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4748 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4748 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0861 -0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0861 -0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4748 -1.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4748 -1.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0861 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0861 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6387 0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6387 0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1914 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1914 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1914 -0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1914 -0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6387 -0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6387 -0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6387 -1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6387 -1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2967 -0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2967 -0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7440 -0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7440 -0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8442 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8442 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8492 -0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8492 -0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8492 -1.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8492 -1.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4005 -0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4005 -0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6387 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6387 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1914 1.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1914 1.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7440 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7440 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7440 0.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7440 0.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2965 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2965 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9175 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9175 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7318 0.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7318 0.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4664 0.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4664 0.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1809 -0.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1809 -0.0889 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 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 0 0 0 0 |
| − | 18 21 2 0 0 0 0 | + | 18 21 2 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 14 1 0 0 0 0 | + | 27 14 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 26 29 1 0 0 0 0 | + | 26 29 1 0 0 0 0 |
| − | 1 30 1 0 0 0 0 | + | 1 30 1 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 33 -4.7454 3.7391 | + | M SBV 1 33 -4.7454 3.7391 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CA8NP0001 | + | ID FL1CA8NP0001 |
| − | KNApSAcK_ID C00007110 | + | KNApSAcK_ID C00007110 |
| − | NAME Orotinichalcone | + | NAME Orotinichalcone |
| − | CAS_RN 108864-19-3 | + | CAS_RN 108864-19-3 |
| − | FORMULA C26H28O6 | + | FORMULA C26H28O6 |
| − | EXACTMASS 436.188588628 | + | EXACTMASS 436.188588628 |
| − | AVERAGEMASS 436.49692 | + | AVERAGEMASS 436.49692 |
| − | SMILES C(C=C(C)C)c(c(O)1)c(O3)c(C=CC3(C)C)c(OC)c1C(=O)C=Cc(c(O)2)c(O)ccc2 | + | SMILES C(C=C(C)C)c(c(O)1)c(O3)c(C=CC3(C)C)c(OC)c1C(=O)C=Cc(c(O)2)c(O)ccc2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
2.2879 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2879 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8442 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4005 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4005 -0.0037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8442 0.3175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0309 -0.6460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5872 -0.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4748 -0.9671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0861 -0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4748 -1.6079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0861 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6387 0.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1914 0.0046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1914 -0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6387 -0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6387 -1.5906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2967 -0.6335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7440 -0.9526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8442 -1.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8492 -0.9525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8492 -1.5891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4005 -0.6342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6387 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1914 1.2809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7440 0.9618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7440 0.3237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2965 1.2808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9175 1.6093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7318 0.3174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4664 0.3236 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1809 -0.0889 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 19 1 0 0 0 0
19 15 1 0 0 0 0
3 20 1 0 0 0 0
18 21 2 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 14 1 0 0 0 0
26 28 1 0 0 0 0
26 29 1 0 0 0 0
1 30 1 0 0 0 0
12 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 OCH3
M SBV 1 33 -4.7454 3.7391
S SKP 8
ID FL1CA8NP0001
KNApSAcK_ID C00007110
NAME Orotinichalcone
CAS_RN 108864-19-3
FORMULA C26H28O6
EXACTMASS 436.188588628
AVERAGEMASS 436.49692
SMILES C(C=C(C)C)c(c(O)1)c(O3)c(C=CC3(C)C)c(OC)c1C(=O)C=Cc(c(O)2)c(O)ccc2
M END
