Mol:FL2FAANP0002
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 |
| − | -1.3618 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3618 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3618 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3618 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8055 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8055 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2492 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2492 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2492 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2492 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8055 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8055 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3071 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3071 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8634 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8634 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8634 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8634 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3071 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3071 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4195 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4195 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9865 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9865 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5534 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5534 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5534 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5534 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9865 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9865 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4195 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4195 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3071 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3071 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8055 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8055 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8055 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8055 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9179 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9179 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4744 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4744 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4744 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4744 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9181 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9181 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7722 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7722 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1202 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1202 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3616 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3616 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3616 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3616 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8055 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8055 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9177 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9177 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1202 0.9821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1202 0.9821 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 |
| − | 4 7 1 0 0 0 0 | + | 4 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 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 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 6 19 1 0 0 0 0 | + | 6 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 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 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 2 1 0 0 0 0 | + | 23 2 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 21 25 1 0 0 0 0 | + | 21 25 1 0 0 0 0 |
| − | 19 26 1 0 0 0 0 | + | 19 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 |
| − | 14 30 1 0 0 0 0 | + | 14 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANP0002 | + | ID FL2FAANP0002 |
| − | KNApSAcK_ID C00008262 | + | KNApSAcK_ID C00008262 |
| − | NAME Lupinifolin | + | NAME Lupinifolin |
| − | CAS_RN 55890-27-2 | + | CAS_RN 55890-27-2 |
| − | FORMULA C25H26O5 | + | FORMULA C25H26O5 |
| − | EXACTMASS 406.178023942 | + | EXACTMASS 406.178023942 |
| − | AVERAGEMASS 406.47094 | + | AVERAGEMASS 406.47094 |
| − | SMILES c(c32)(C(=O)CC(c(c4)ccc(c4)O)O3)c(O)c(c1c2CC=C(C)C)C=CC(O1)(C)C | + | SMILES c(c32)(C(=O)CC(c(c4)ccc(c4)O)O3)c(O)c(c1c2CC=C(C)C)C=CC(O1)(C)C |
M END | M END | ||
| − | |||
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
-1.3618 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3618 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8055 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2492 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2492 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8055 0.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3071 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8634 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8634 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3071 0.0002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4195 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9865 -0.3272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5534 0.0001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5534 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9865 0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4195 0.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3071 -1.8283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8055 -1.9266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8055 0.6424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9179 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4744 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4744 -0.9633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9181 -1.2845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7722 0.1948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1202 -0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3616 0.9634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3616 1.6055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8055 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9177 1.9266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1202 0.9821 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
4 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 5 1 0 0 0 0
9 11 1 0 0 0 0
11 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 11 1 0 0 0 0
7 17 2 0 0 0 0
3 18 1 0 0 0 0
6 19 1 0 0 0 0
1 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 2 1 0 0 0 0
21 24 1 0 0 0 0
21 25 1 0 0 0 0
19 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
14 30 1 0 0 0 0
S SKP 8
ID FL2FAANP0002
KNApSAcK_ID C00008262
NAME Lupinifolin
CAS_RN 55890-27-2
FORMULA C25H26O5
EXACTMASS 406.178023942
AVERAGEMASS 406.47094
SMILES c(c32)(C(=O)CC(c(c4)ccc(c4)O)O3)c(O)c(c1c2CC=C(C)C)C=CC(O1)(C)C
M END
