Mol:FL4D19NP0001
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 27 0 0 0 0 0 0 0 0999 V2000 | + | 24 27 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.3078 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3078 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7869 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7869 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2660 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2660 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2660 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2660 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7869 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7869 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3078 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3078 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2548 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2548 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7757 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7757 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7757 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7757 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2548 0.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2548 0.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2961 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2961 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2548 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2548 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8305 0.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8305 0.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3648 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3648 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3648 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3648 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8305 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8305 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2961 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2961 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8282 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8282 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7869 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7869 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3078 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3078 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8282 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8282 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2430 1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2430 1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3648 0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3648 0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2775 -0.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2775 -0.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 6 1 1 0 0 0 0 | + | 6 1 1 0 0 0 0 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 6 18 1 0 0 0 0 | + | 6 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 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 18 1 0 0 0 0 | + | 21 18 1 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 |
| − | 8 24 1 0 0 0 0 | + | 8 24 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4D19NP0001 | + | ID FL4D19NP0001 |
| − | KNApSAcK_ID C00008606 | + | KNApSAcK_ID C00008606 |
| − | NAME 3-Hydroxyisolonchocarpin | + | NAME 3-Hydroxyisolonchocarpin |
| − | CAS_RN 70215-98-4 | + | CAS_RN 70215-98-4 |
| − | FORMULA C20H18O4 | + | FORMULA C20H18O4 |
| − | EXACTMASS 322.120509064 | + | EXACTMASS 322.120509064 |
| − | AVERAGEMASS 322.35452 | + | AVERAGEMASS 322.35452 |
| − | SMILES c(O3)(c(C(C(C3c(c4)cccc4)O)=O)2)c(c(cc2)1)C=CC(C)(C)O1 | + | SMILES c(O3)(c(C(C(C3c(c4)cccc4)O)=O)2)c(c(cc2)1)C=CC(C)(C)O1 |
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 27 0 0 0 0 0 0 0 0999 V2000
-1.3078 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2660 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2660 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 0.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3078 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2548 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7757 -0.5469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7757 0.0545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2548 0.3553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2961 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2548 -1.3716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8305 0.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3648 0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3648 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8305 1.2805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2961 0.9720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8282 0.3550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7869 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3078 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8282 0.9567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2430 1.3716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3648 0.8129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2775 -0.8366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
3 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 4 1 0 0 0 0
9 11 1 0 0 0 0
7 12 2 0 0 0 0
11 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 17 2 0 0 0 0
17 11 1 0 0 0 0
6 18 1 0 0 0 0
5 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 18 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
8 24 1 0 0 0 0
S SKP 8
ID FL4D19NP0001
KNApSAcK_ID C00008606
NAME 3-Hydroxyisolonchocarpin
CAS_RN 70215-98-4
FORMULA C20H18O4
EXACTMASS 322.120509064
AVERAGEMASS 322.35452
SMILES c(O3)(c(C(C(C3c(c4)cccc4)O)=O)2)c(c(cc2)1)C=CC(C)(C)O1
M END
