Mol:FL1C2ANP0002
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 33 0 0 0 0 0 0 0 0999 V2000 | + | 31 33 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.0042 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0042 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0042 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0042 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5605 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5605 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1168 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1168 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1168 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1168 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5605 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5605 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8710 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8710 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4273 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4273 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3149 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3149 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7540 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7540 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3149 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3149 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7540 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7540 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2013 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2013 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3513 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3513 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3513 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3513 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2013 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2013 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2013 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2013 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9038 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9038 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2013 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2013 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4564 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4564 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9038 0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9038 0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4564 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4564 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0904 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0904 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7239 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7239 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3574 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3574 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9909 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9909 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6244 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6244 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9909 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9909 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8435 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8435 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6729 0.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6729 0.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.6729 0.7210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.6729 0.7210 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 18 20 2 0 0 0 0 | + | 18 20 2 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 20 1 0 0 0 0 | + | 22 20 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 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 |
| − | 26 28 1 0 0 0 0 | + | 26 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 5 30 1 0 0 0 0 | + | 5 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C2ANP0002 | + | ID FL1C2ANP0002 |
| − | KNApSAcK_ID C00007144 | + | KNApSAcK_ID C00007144 |
| − | NAME Flemingin E | + | NAME Flemingin E |
| − | CAS_RN 50886-59-4 | + | CAS_RN 50886-59-4 |
| − | FORMULA C25H26O6 | + | FORMULA C25H26O6 |
| − | EXACTMASS 422.172938564 | + | EXACTMASS 422.172938564 |
| − | AVERAGEMASS 422.47033999999996 | + | AVERAGEMASS 422.47033999999996 |
| − | SMILES O=C(C=Cc(c3)ccc(O)c3)c(c2)c(O)c(c(c2O)1)C=CC(CC=CC(C)(C)O)(O1)C | + | SMILES O=C(C=Cc(c3)ccc(O)c3)c(c2)c(O)c(c(c2O)1)C=CC(CC=CC(C)(C)O)(O1)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/
31 33 0 0 0 0 0 0 0 0999 V2000
3.0042 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0042 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5605 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1168 -0.3436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1168 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5605 0.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8710 -0.3230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4273 -0.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3149 -0.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7540 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3149 -1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7540 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2013 0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3513 0.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3513 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2013 -0.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2013 -1.2675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 -0.6294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2013 1.2848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4564 -0.3104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9038 0.6467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4564 0.3276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0904 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7239 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3574 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9909 0.3273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6244 -0.0385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9909 1.0588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8435 0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6729 0.6198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.6729 0.7210 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
15 18 1 0 0 0 0
13 19 1 0 0 0 0
18 20 2 0 0 0 0
14 21 1 0 0 0 0
21 22 1 0 0 0 0
22 20 1 0 0 0 0
22 23 1 0 0 0 0
23 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
26 28 1 0 0 0 0
22 29 1 0 0 0 0
5 30 1 0 0 0 0
26 31 1 0 0 0 0
S SKP 8
ID FL1C2ANP0002
KNApSAcK_ID C00007144
NAME Flemingin E
CAS_RN 50886-59-4
FORMULA C25H26O6
EXACTMASS 422.172938564
AVERAGEMASS 422.47033999999996
SMILES O=C(C=Cc(c3)ccc(O)c3)c(c2)c(O)c(c(c2O)1)C=CC(CC=CC(C)(C)O)(O1)C
M END
