Mol:FL1CACGS0001
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 |
| − | -1.5183 1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5183 1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5183 0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5183 0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9643 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9643 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4103 0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4103 0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4103 1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4103 1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9643 1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9643 1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1434 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1434 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6959 0.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6959 0.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2472 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2472 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7974 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7974 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3358 0.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3358 0.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8741 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8741 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8741 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8741 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3358 1.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3358 1.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7974 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7974 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1434 -0.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1434 -0.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9643 -0.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9643 -0.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0720 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0720 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4124 1.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4124 1.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4124 0.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4124 0.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0253 -0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0253 -0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6790 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6790 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1804 -1.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1804 -1.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6608 -1.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6608 -1.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0489 -0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0489 -0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5582 -0.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5582 -0.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4124 -0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4124 -0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2188 -1.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2188 -1.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8947 -1.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8947 -1.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1434 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1434 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6053 -0.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6053 -0.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4022 -0.2168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4022 -0.2168 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 17 1 0 0 0 0 | + | 24 17 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 |
| − | 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 -5.8719 4.3433 | + | M SBV 1 33 -5.8719 4.3433 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CACGS0001 | + | ID FL1CACGS0001 |
| − | KNApSAcK_ID C00007914 | + | KNApSAcK_ID C00007914 |
| − | NAME 3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside | + | NAME 3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside |
| − | CAS_RN 20126-63-0 | + | CAS_RN 20126-63-0 |
| − | FORMULA C21H22O11 | + | FORMULA C21H22O11 |
| − | EXACTMASS 450.116211546 | + | EXACTMASS 450.116211546 |
| − | AVERAGEMASS 450.39278 | + | AVERAGEMASS 450.39278 |
| − | SMILES C(C1Oc(c2)c(C(=O)C=Cc(c3)cc(c(O)c3)O)c(cc(O)2)O)(O)C(O)C(O)C(O1)CO | + | SMILES C(C1Oc(c2)c(C(=O)C=Cc(c3)cc(c(O)c3)O)c(cc(O)2)O)(O)C(O)C(O)C(O1)CO |
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
-1.5183 1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5183 0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9643 0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4103 0.5207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4103 1.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9643 1.4803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1434 0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6959 0.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2472 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7974 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3358 0.2085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8741 0.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8741 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3358 1.4519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7974 1.1410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1434 -0.4370 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9643 -0.4385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0720 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4124 1.4518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4124 0.2086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0253 -0.7376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6790 -1.1946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1804 -1.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6608 -1.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0489 -0.6458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5582 -0.8287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4124 -0.9611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2188 -1.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8947 -1.4803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1434 1.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6053 -0.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4022 -0.2168 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 17 1 0 0 0 0
5 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 -5.8719 4.3433
S SKP 8
ID FL1CACGS0001
KNApSAcK_ID C00007914
NAME 3,4,2',4',6'-Pentahydroxychalcone 2'-glucoside
CAS_RN 20126-63-0
FORMULA C21H22O11
EXACTMASS 450.116211546
AVERAGEMASS 450.39278
SMILES C(C1Oc(c2)c(C(=O)C=Cc(c3)cc(c(O)c3)O)c(cc(O)2)O)(O)C(O)C(O)C(O1)CO
M END
