Mol:FLIBALNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 26 29 0 0 0 0 0 0 0 0999 V2000 | + | 26 29 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.6958 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6958 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6958 -0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6958 -0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1395 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1395 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5832 -0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5832 -0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5832 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5832 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1395 0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1395 0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0269 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0269 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5294 -0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5294 -0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5294 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5294 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0269 0.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0269 0.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0855 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0855 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0855 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0855 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6802 -1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6802 -1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2750 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2750 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2750 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2750 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6802 -0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6802 -0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0269 -1.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0269 -1.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4913 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4913 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1395 -1.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1395 -1.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8698 -1.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8698 -1.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1395 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1395 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6958 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6958 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2522 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2522 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2522 0.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2522 0.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6194 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6194 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8698 0.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8698 0.9950 0.0000 C 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 |
| − | 8 11 1 0 0 0 0 | + | 8 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 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 11 2 0 0 0 0 | + | 16 11 2 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 12 18 1 0 0 0 0 | + | 12 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 20 14 1 0 0 0 0 | + | 20 14 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 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 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 1 1 0 0 0 0 | + | 24 1 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FLIBALNP0002 | + | ID FLIBALNP0002 |
| − | KNApSAcK_ID C00009558 | + | KNApSAcK_ID C00009558 |
| − | NAME Cyclokievitone | + | NAME Cyclokievitone |
| − | CAS_RN 74175-82-9 | + | CAS_RN 74175-82-9 |
| − | FORMULA C20H18O6 | + | FORMULA C20H18O6 |
| − | EXACTMASS 354.110338308 | + | EXACTMASS 354.110338308 |
| − | AVERAGEMASS 354.35332 | + | AVERAGEMASS 354.35332 |
| − | SMILES c(c13)(OCC(c(c4)c(O)cc(O)c4)C3=O)c(C=2)c(OC(C2)(C)C)cc1O | + | SMILES c(c13)(OCC(c(c4)c(O)cc(O)c4)C3=O)c(C=2)c(OC(C2)(C)C)cc1O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
26 29 0 0 0 0 0 0 0 0999 V2000
-1.6958 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6958 -0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5832 -0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5832 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 0.5181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0269 -0.7666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5294 -0.4454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5294 0.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0269 0.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0855 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0855 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6802 -1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2750 -1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2750 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6802 -0.4231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0269 -1.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4913 -1.7963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 -1.4087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8698 -1.7967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1395 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6958 1.4817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2522 1.1605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2522 0.5181 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6194 1.7967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8698 0.9950 0.0000 C 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
8 11 1 0 0 0 0
11 12 1 0 0 0 0
12 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 11 2 0 0 0 0
7 17 2 0 0 0 0
12 18 1 0 0 0 0
3 19 1 0 0 0 0
20 14 1 0 0 0 0
6 21 1 0 0 0 0
21 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 1 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
S SKP 8
ID FLIBALNP0002
KNApSAcK_ID C00009558
NAME Cyclokievitone
CAS_RN 74175-82-9
FORMULA C20H18O6
EXACTMASS 354.110338308
AVERAGEMASS 354.35332
SMILES c(c13)(OCC(c(c4)c(O)cc(O)c4)C3=O)c(C=2)c(OC(C2)(C)C)cc1O
M END
