Mol:FL1C2CGS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 32 34 0 0 0 0 0 0 0 0999 V2000 | + | 32 34 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.0336 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0336 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0336 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0336 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4796 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4796 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0744 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0744 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0744 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0744 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4796 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4796 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6281 -0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6281 -0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1806 -0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1806 -0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7319 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7319 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2821 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2821 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8205 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8205 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3588 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3588 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3588 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3588 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8205 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8205 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2821 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2821 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6281 -1.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6281 -1.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4796 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4796 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5874 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5874 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8971 0.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8971 0.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8971 -0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8971 -0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.5099 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.5099 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1637 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1637 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6651 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6651 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1455 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1455 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5336 0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5336 0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0429 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0429 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8971 0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8971 0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7035 -0.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7035 -0.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3794 -0.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3794 -0.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4796 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4796 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0900 0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0900 0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8868 0.9227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8868 0.9227 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 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 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 |
| − | 7 16 2 0 0 0 0 | + | 7 16 2 0 0 0 0 |
| − | 3 17 1 0 0 0 0 | + | 3 17 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 13 19 1 0 0 0 0 | + | 13 19 1 0 0 0 0 |
| − | 12 20 1 0 0 0 0 | + | 12 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 6 30 1 0 0 0 0 | + | 6 30 1 0 0 0 0 |
| − | 26 31 1 0 0 0 0 | + | 26 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 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 31 32 | + | M SAL 1 2 31 32 |
| − | M SBL 1 1 33 | + | M SBL 1 1 33 |
| − | M SMT 1 ^CH2OH | + | M SMT 1 ^CH2OH |
| − | M SBV 1 33 -5.3872 3.5027 | + | M SBV 1 33 -5.3872 3.5027 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1C2CGS0001 | + | ID FL1C2CGS0001 |
| − | KNApSAcK_ID C00007913 | + | KNApSAcK_ID C00007913 |
| − | NAME Stillopsin | + | NAME Stillopsin |
| − | CAS_RN 72241-26-0 | + | CAS_RN 72241-26-0 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES c(c1)(OC(O3)C(O)C(O)C(O)C3CO)c(O)cc(C(=O)C=Cc(c2)cc(c(O)c2)O)c(O)1 | + | SMILES c(c1)(OC(O3)C(O)C(O)C(O)C3CO)c(O)cc(C(=O)C=Cc(c2)cc(c(O)c2)O)c(O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 34 0 0 0 0 0 0 0 0999 V2000
-1.0336 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0336 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4796 -0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0744 -0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0744 0.3199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4796 0.6397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6281 -0.6395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1806 -0.3205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7319 -0.6389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2821 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 -0.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3588 -0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3588 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8205 0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2821 0.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6281 -1.2775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4796 -1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5874 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 0.6112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8971 -0.6320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5099 0.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1637 -0.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6651 0.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1455 0.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5336 0.4936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0429 0.3107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8971 0.1783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7035 -0.0815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3794 -0.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4796 1.2791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0900 0.7091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8868 0.9227 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 2 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
7 16 2 0 0 0 0
3 17 1 0 0 0 0
1 18 1 0 0 0 0
13 19 1 0 0 0 0
12 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 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 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 18 1 0 0 0 0
6 30 1 0 0 0 0
26 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 33
M SMT 1 ^CH2OH
M SBV 1 33 -5.3872 3.5027
S SKP 8
ID FL1C2CGS0001
KNApSAcK_ID C00007913
NAME Stillopsin
CAS_RN 72241-26-0
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES c(c1)(OC(O3)C(O)C(O)C(O)C3CO)c(O)cc(C(=O)C=Cc(c2)cc(c(O)c2)O)c(O)1
M END
