Mol:FL5FFCGS0010
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.1531 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1531 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1531 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1531 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5968 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5968 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0405 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0405 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0405 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0405 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5968 0.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5968 0.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4842 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4842 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0721 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0721 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0721 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0721 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4842 0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4842 0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4842 -0.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4842 -0.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6282 0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6282 0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1952 0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1952 0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7621 0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7621 0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7621 1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7621 1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1952 1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1952 1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6282 1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6282 1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5968 -1.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5968 -1.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6282 -0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6282 -0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1952 2.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1952 2.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3463 1.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3463 1.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5968 1.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5968 1.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4612 -1.5668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 1.4612 -1.5668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 2.0895 -1.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 2.0895 -1.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.8901 -1.2320 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.8901 -1.2320 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 2.0895 -0.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0895 -0.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4612 -0.1675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.4612 -0.1675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 1.6605 -0.8651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 1.6605 -0.8651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 2.4309 -0.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4309 -0.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6226 -2.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6226 -2.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9379 -2.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9379 -2.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5103 -1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5103 -1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5103 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5103 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0102 2.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0102 2.0225 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 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 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 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 28 1 1 0 0 0 | + | 27 28 1 1 0 0 0 |
| − | 28 23 1 1 0 0 0 | + | 28 23 1 1 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 25 32 1 0 0 0 0 | + | 25 32 1 0 0 0 0 |
| − | 27 19 1 0 0 0 0 | + | 27 19 1 0 0 0 0 |
| − | 1 33 1 0 0 0 0 | + | 1 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 33 34 | + | M SAL 1 2 33 34 |
| − | M SBL 1 1 36 | + | M SBL 1 1 36 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 36 -2.5103 1.1564 | + | M SVB 1 36 -2.5103 1.1564 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FFCGS0010 | + | ID FL5FFCGS0010 |
| − | KNApSAcK_ID C00005699 | + | KNApSAcK_ID C00005699 |
| − | NAME Ranupenin 3-rhamnoside | + | NAME Ranupenin 3-rhamnoside |
| − | CAS_RN 56768-33-3 | + | CAS_RN 56768-33-3 |
| − | FORMULA C22H22O12 | + | FORMULA C22H22O12 |
| − | EXACTMASS 478.111126168 | + | EXACTMASS 478.111126168 |
| − | AVERAGEMASS 478.40288000000004 | + | AVERAGEMASS 478.40288000000004 |
| − | SMILES O[C@H]([C@H]1OC(C(=O)3)=C(Oc(c4O)c(c(O)cc4OC)3)c(c2)cc(c(O)c2)O)[C@@H]([C@H](O)C(C)O1)O | + | SMILES O[C@H]([C@H]1OC(C(=O)3)=C(Oc(c4O)c(c(O)cc4OC)3)c(c2)cc(c(O)c2)O)[C@@H]([C@H](O)C(C)O1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
-2.1531 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1531 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5968 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0405 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0405 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5968 0.8588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4842 -0.4259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0721 -0.1048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0721 0.5376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4842 0.8588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4842 -0.9268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6282 0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1952 0.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7621 0.8587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7621 1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1952 1.8407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6282 1.5134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5968 -1.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6282 -0.4258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1952 2.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3463 1.8322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5968 1.5009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4612 -1.5668 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
2.0895 -1.9295 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.8901 -1.2320 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.0895 -0.5303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4612 -0.1675 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.6605 -0.8651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.4309 -0.8651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6226 -2.1690 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9379 -2.4952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5103 -1.5901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5103 1.1564 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0102 2.0225 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 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 17 2 0 0 0 0
17 12 1 0 0 0 0
3 18 1 0 0 0 0
8 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
6 22 1 0 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
27 19 1 0 0 0 0
1 33 1 0 0 0 0
33 34 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 33 34
M SBL 1 1 36
M SMT 1 OCH3
M SVB 1 36 -2.5103 1.1564
S SKP 8
ID FL5FFCGS0010
KNApSAcK_ID C00005699
NAME Ranupenin 3-rhamnoside
CAS_RN 56768-33-3
FORMULA C22H22O12
EXACTMASS 478.111126168
AVERAGEMASS 478.40288000000004
SMILES O[C@H]([C@H]1OC(C(=O)3)=C(Oc(c4O)c(c(O)cc4OC)3)c(c2)cc(c(O)c2)O)[C@@H]([C@H](O)C(C)O1)O
M END
