Mol:FL1DHYGS0001
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 |
| − | -1.3866 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3866 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3866 0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3866 0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8326 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8326 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2786 0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2786 0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2786 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2786 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8326 1.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8326 1.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2751 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2751 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8277 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8277 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3790 0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3790 0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9291 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9291 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4675 0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4675 0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0059 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0059 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0059 1.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0059 1.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4675 1.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4675 1.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9291 1.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9291 1.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0303 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0303 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6591 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6591 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1246 -0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1246 -0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6089 -0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6089 -0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9836 -0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9836 -0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4513 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4513 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5441 -0.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5441 -0.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2377 -1.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2377 -1.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8184 -1.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8184 -1.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8326 -0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8326 -0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9403 1.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9403 1.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2751 -0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2751 -0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3790 -0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3790 -0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5441 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5441 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8497 -0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8497 -0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0528 -0.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0528 -0.2280 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 |
| − | 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 11 2 0 0 0 0 | + | 10 11 2 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 10 1 0 0 0 0 | + | 15 10 1 0 0 0 0 |
| − | 16 17 1 1 0 0 0 | + | 16 17 1 1 0 0 0 |
| − | 17 18 1 1 0 0 0 | + | 17 18 1 1 0 0 0 |
| − | 19 18 1 1 0 0 0 | + | 19 18 1 1 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 16 1 0 0 0 0 | + | 21 16 1 0 0 0 0 |
| − | 16 22 1 0 0 0 0 | + | 16 22 1 0 0 0 0 |
| − | 17 23 1 0 0 0 0 | + | 17 23 1 0 0 0 0 |
| − | 18 24 1 0 0 0 0 | + | 18 24 1 0 0 0 0 |
| − | 3 25 1 0 0 0 0 | + | 3 25 1 0 0 0 0 |
| − | 25 19 1 0 0 0 0 | + | 25 19 1 0 0 0 0 |
| − | 1 26 1 0 0 0 0 | + | 1 26 1 0 0 0 0 |
| − | 7 27 2 0 0 0 0 | + | 7 27 2 0 0 0 0 |
| − | 9 28 1 0 0 0 0 | + | 9 28 1 0 0 0 0 |
| − | 13 29 1 0 0 0 0 | + | 13 29 1 0 0 0 0 |
| − | 21 30 1 0 0 0 0 | + | 21 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 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 30 31 | + | M SAL 1 2 30 31 |
| − | M SBL 1 1 32 | + | M SBL 1 1 32 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 32 -7.8446 4.8189 | + | M SBV 1 32 -7.8446 4.8189 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1DHYGS0001 | + | ID FL1DHYGS0001 |
| − | KNApSAcK_ID C00007178 | + | KNApSAcK_ID C00007178 |
| − | NAME Rocymosin B | + | NAME Rocymosin B |
| − | CAS_RN 150036-01-4 | + | CAS_RN 150036-01-4 |
| − | FORMULA C21H24O10 | + | FORMULA C21H24O10 |
| − | EXACTMASS 436.136946988 | + | EXACTMASS 436.136946988 |
| − | AVERAGEMASS 436.40926 | + | AVERAGEMASS 436.40926 |
| − | SMILES Oc(c1)ccc(C(CC(c(c3)c(cc(O)c3)OC(O2)C(O)C(O)C(O)C2CO)=O)O)c1 | + | SMILES Oc(c1)ccc(C(CC(c(c3)c(cc(O)c3)OC(O2)C(O)C(O)C(O)C2CO)=O)O)c1 |
M END | M END | ||
| − | |||
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
-1.3866 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3866 0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8326 0.1670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2786 0.4868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2786 1.1265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8326 1.4464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2751 0.1672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8277 0.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3790 0.1678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9291 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 0.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0059 0.4855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0059 1.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 1.4180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9291 1.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0303 -0.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6591 -1.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1246 -0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6089 -0.9267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9836 -0.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4513 -0.7987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5441 -0.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2377 -1.1683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8184 -1.4464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8326 -0.4724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9403 1.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2751 -0.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3790 -0.4688 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5441 1.4179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8497 -0.0145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0528 -0.2280 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
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 11 2 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 10 1 0 0 0 0
16 17 1 1 0 0 0
17 18 1 1 0 0 0
19 18 1 1 0 0 0
19 20 1 0 0 0 0
20 21 1 0 0 0 0
21 16 1 0 0 0 0
16 22 1 0 0 0 0
17 23 1 0 0 0 0
18 24 1 0 0 0 0
3 25 1 0 0 0 0
25 19 1 0 0 0 0
1 26 1 0 0 0 0
7 27 2 0 0 0 0
9 28 1 0 0 0 0
13 29 1 0 0 0 0
21 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 32
M SMT 1 ^CH2OH
M SBV 1 32 -7.8446 4.8189
S SKP 8
ID FL1DHYGS0001
KNApSAcK_ID C00007178
NAME Rocymosin B
CAS_RN 150036-01-4
FORMULA C21H24O10
EXACTMASS 436.136946988
AVERAGEMASS 436.40926
SMILES Oc(c1)ccc(C(CC(c(c3)c(cc(O)c3)OC(O2)C(O)C(O)C(O)C2CO)=O)O)c1
M END
