Mol:FL2FAANF0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 34 0 0 0 0 0 0 0 0999 V2000 | + | 31 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0590 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0590 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5381 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5381 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0172 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0172 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0172 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0172 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5381 -0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5381 -0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0590 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0590 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5037 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5037 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0245 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0245 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0245 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0245 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5037 -0.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5037 -0.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5449 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5449 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5037 -1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5037 -1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0793 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0793 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6136 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6136 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6136 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6136 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0793 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0793 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5449 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5449 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5381 -1.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5381 -1.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5794 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5794 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1381 0.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1381 0.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0997 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0997 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6189 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6189 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1381 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1381 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6189 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6189 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.6632 0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.6632 0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2613 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2613 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5060 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5060 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5618 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5618 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2620 1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2620 1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1613 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1613 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0044 1.8699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0044 1.8699 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 |
| − | 2 18 1 0 0 0 0 | + | 2 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 15 20 1 0 0 0 0 | + | 15 20 1 0 0 0 0 |
| − | 19 21 1 0 0 0 0 | + | 19 21 1 0 0 0 0 |
| − | 21 22 2 0 0 0 0 | + | 21 22 2 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 5 25 1 0 0 0 0 | + | 5 25 1 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 6 1 0 0 0 0 | + | 27 6 1 0 0 0 0 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 28 31 1 0 0 0 0 | + | 28 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAANF0001 | + | ID FL2FAANF0001 |
| − | KNApSAcK_ID C00008425 | + | KNApSAcK_ID C00008425 |
| − | NAME Lonchocarpol C;(-)-Lonchocarpol C | + | NAME Lonchocarpol C;(-)-Lonchocarpol C |
| − | CAS_RN 111545-13-2 | + | CAS_RN 111545-13-2 |
| − | FORMULA C25H28O6 | + | FORMULA C25H28O6 |
| − | EXACTMASS 424.188588628 | + | EXACTMASS 424.188588628 |
| − | AVERAGEMASS 424.48622 | + | AVERAGEMASS 424.48622 |
| − | SMILES C(C(O4)Cc(c43)c(c(c(O)c3CC=C(C)C)1)OC(c(c2)ccc(c2)O)CC1=O)(C)(C)O | + | SMILES C(C(O4)Cc(c43)c(c(c(O)c3CC=C(C)C)1)OC(c(c2)ccc(c2)O)CC1=O)(C)(C)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 34 0 0 0 0 0 0 0 0999 V2000
-1.0590 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5381 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0172 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0172 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5381 -0.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0590 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 -1.2713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0245 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0245 -0.3692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 -0.0684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5449 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5037 -1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0793 -0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6136 -0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6136 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0793 0.8568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5449 0.5483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5381 -1.7357 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5794 -1.2711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1381 0.8511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0997 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6189 -1.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1381 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6189 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6632 0.5199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2613 0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5060 0.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5618 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2620 1.6223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1613 1.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 1.8699 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
2 18 1 0 0 0 0
1 19 1 0 0 0 0
15 20 1 0 0 0 0
19 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
5 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 6 1 0 0 0 0
26 28 1 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
28 31 1 0 0 0 0
S SKP 8
ID FL2FAANF0001
KNApSAcK_ID C00008425
NAME Lonchocarpol C;(-)-Lonchocarpol C
CAS_RN 111545-13-2
FORMULA C25H28O6
EXACTMASS 424.188588628
AVERAGEMASS 424.48622
SMILES C(C(O4)Cc(c43)c(c(c(O)c3CC=C(C)C)1)OC(c(c2)ccc(c2)O)CC1=O)(C)(C)O
M END
