Mol:FL1C1LNI0003
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 31 0 0 0 0 0 0 0 0999 V2000 | + | 30 31 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.9455 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9455 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9455 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9455 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5018 -0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5018 -0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0581 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0581 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0581 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0581 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5018 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5018 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8123 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8123 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3686 -0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3686 -0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2562 -0.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2562 -0.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3048 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3048 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2562 -1.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2562 -1.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3048 0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3048 0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8574 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8574 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4100 0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4100 0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4100 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4100 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8574 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8574 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8574 -1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8574 -1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9626 0.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 0.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6142 0.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6142 0.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9626 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9626 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5139 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5139 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5139 0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5139 0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0640 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0640 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0640 -1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0640 -1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6142 -0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6142 -0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0640 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0640 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0640 1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0640 1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6130 1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6130 1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5151 1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5151 1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5018 -1.4497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5018 -1.4497 0.0000 O 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 |
| − | 14 18 1 0 0 0 0 | + | 14 18 1 0 0 0 0 |
| − | 5 19 1 0 0 0 0 | + | 5 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 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 |
| − | 21 23 1 0 0 0 0 | + | 21 23 1 0 0 0 0 |
| − | 23 24 2 0 0 0 0 | + | 23 24 2 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 22 26 1 0 0 0 0 | + | 22 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 3 30 1 0 0 0 0 | + | 3 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C1LNI0003 | + | ID FL1C1LNI0003 |
| − | KNApSAcK_ID C00007138 | + | KNApSAcK_ID C00007138 |
| − | NAME Ammothamnidin | + | NAME Ammothamnidin |
| − | CAS_RN 88640-94-2 | + | CAS_RN 88640-94-2 |
| − | FORMULA C25H28O5 | + | FORMULA C25H28O5 |
| − | EXACTMASS 408.193674006 | + | EXACTMASS 408.193674006 |
| − | AVERAGEMASS 408.48682 | + | AVERAGEMASS 408.48682 |
| − | SMILES C(c(c(O)2)c(c(cc2)C(=O)C=Cc(c1)c(O)cc(c1)O)O)C(C(C)=C)CC=C(C)C | + | SMILES C(c(c(O)2)c(c(cc2)C(=O)C=Cc(c1)c(O)cc(c1)O)O)C(C(C)=C)CC=C(C)C |
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 31 0 0 0 0 0 0 0 0999 V2000
1.9455 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9455 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5018 -0.8076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0581 -0.4864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0581 0.1559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5018 0.4771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8123 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3686 -0.7870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2562 -0.7869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3048 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2562 -1.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3048 0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8574 0.5039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4100 0.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4100 -0.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8574 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8574 -1.4103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9626 0.5039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6142 0.4770 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9626 -0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5139 -0.4539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5139 0.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0640 -0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0640 -1.4068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6142 -0.4540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0640 0.4989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0640 1.1328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6130 1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5151 1.4497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5018 -1.4497 0.0000 O 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
14 18 1 0 0 0 0
5 19 1 0 0 0 0
15 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
21 23 1 0 0 0 0
23 24 2 0 0 0 0
23 25 1 0 0 0 0
22 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
3 30 1 0 0 0 0
S SKP 8
ID FL1C1LNI0003
KNApSAcK_ID C00007138
NAME Ammothamnidin
CAS_RN 88640-94-2
FORMULA C25H28O5
EXACTMASS 408.193674006
AVERAGEMASS 408.48682
SMILES C(c(c(O)2)c(c(cc2)C(=O)C=Cc(c1)c(O)cc(c1)O)O)C(C(C)=C)CC=C(C)C
M END
