Mol:FL1CELNS0005
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 |
| − | -2.3731 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3731 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3731 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3731 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8168 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8168 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2605 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2605 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2605 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2605 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8168 0.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8168 0.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7042 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7042 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1479 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1479 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4082 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4082 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9643 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9643 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5253 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5253 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0863 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0863 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0863 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0863 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5253 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5253 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9643 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9643 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7042 -1.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7042 -1.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9840 0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9840 0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3616 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3616 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9840 -0.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9840 -0.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0912 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0912 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8057 -1.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8057 -1.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9523 -0.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9523 -0.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8183 -1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8183 -1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9523 0.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9523 0.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8183 1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8183 1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8057 1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8057 1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2444 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2444 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2532 -0.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2532 -0.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5388 -1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5388 -1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7044 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7044 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0101 0.2270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0101 0.2270 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 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 |
| − | 1 17 1 0 0 0 0 | + | 1 17 1 0 0 0 0 |
| − | 17 18 1 0 0 0 0 | + | 17 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 19 2 1 0 0 0 0 | + | 19 2 1 0 0 0 0 |
| − | 11 20 1 0 0 0 0 | + | 11 20 1 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 12 22 1 0 0 0 0 | + | 12 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 13 24 1 0 0 0 0 | + | 13 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 14 26 1 0 0 0 0 | + | 14 26 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 3 28 1 0 0 0 0 | + | 3 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 5 30 1 0 0 0 0 | + | 5 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | M STY 1 6 SUP | + | M STY 1 6 SUP |
| − | M SLB 1 6 6 | + | M SLB 1 6 6 |
| − | M SAL 6 2 30 31 | + | M SAL 6 2 30 31 |
| − | M SBL 6 1 32 | + | M SBL 6 1 32 |
| − | M SMT 6 OCH3 | + | M SMT 6 OCH3 |
| − | M SVB 6 32 -0.7044 0.6395 | + | M SVB 6 32 -0.7044 0.6395 |
| − | M STY 1 5 SUP | + | M STY 1 5 SUP |
| − | M SLB 1 5 5 | + | M SLB 1 5 5 |
| − | M SAL 5 2 28 29 | + | M SAL 5 2 28 29 |
| − | M SBL 5 1 30 | + | M SBL 5 1 30 |
| − | M SMT 5 OCH3 | + | M SMT 5 OCH3 |
| − | M SVB 5 30 -2.2532 -0.8056 | + | M SVB 5 30 -2.2532 -0.8056 |
| − | M STY 1 4 SUP | + | M STY 1 4 SUP |
| − | M SLB 1 4 4 | + | M SLB 1 4 4 |
| − | M SAL 4 2 26 27 | + | M SAL 4 2 26 27 |
| − | M SBL 4 1 28 | + | M SBL 4 1 28 |
| − | M SMT 4 OCH3 | + | M SMT 4 OCH3 |
| − | M SVB 4 28 1.8057 1.2222 | + | M SVB 4 28 1.8057 1.2222 |
| − | M STY 1 3 SUP | + | M STY 1 3 SUP |
| − | M SLB 1 3 3 | + | M SLB 1 3 3 |
| − | M SAL 3 2 24 25 | + | M SAL 3 2 24 25 |
| − | M SBL 3 1 26 | + | M SBL 3 1 26 |
| − | M SMT 3 OCH3 | + | M SMT 3 OCH3 |
| − | M SVB 3 26 2.6471 0.6477 | + | M SVB 3 26 2.6471 0.6477 |
| − | M STY 1 2 SUP | + | M STY 1 2 SUP |
| − | M SLB 1 2 2 | + | M SLB 1 2 2 |
| − | M SAL 2 2 22 23 | + | M SAL 2 2 22 23 |
| − | M SBL 2 1 24 | + | M SBL 2 1 24 |
| − | M SMT 2 OCH3 | + | M SMT 2 OCH3 |
| − | M SVB 2 24 2.2899 -0.5301 | + | M SVB 2 24 2.2899 -0.5301 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 20 21 | + | M SAL 1 2 20 21 |
| − | M SBL 1 1 22 | + | M SBL 1 1 22 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 22 1.0912 -0.8097 | + | M SVB 1 22 1.0912 -0.8097 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL1CELNS0005 | + | ID FL1CELNS0005 |
| − | KNApSAcK_ID C00007033 | + | KNApSAcK_ID C00007033 |
| − | NAME 2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone | + | NAME 2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone |
| − | CAS_RN 121697-06-1 | + | CAS_RN 121697-06-1 |
| − | FORMULA C22H24O9 | + | FORMULA C22H24O9 |
| − | EXACTMASS 432.14203236599997 | + | EXACTMASS 432.14203236599997 |
| − | AVERAGEMASS 432.42056 | + | AVERAGEMASS 432.42056 |
| − | SMILES c(O1)(c3)c(c(c(c(OC)3)C(=O)C=Cc(c2)c(OC)c(c(c2OC)OC)OC)OC)OC1 | + | SMILES c(O1)(c3)c(c(c(c(OC)3)C(=O)C=Cc(c2)c(OC)c(c(c2OC)OC)OC)OC)OC1 |
M END | M END | ||
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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
-2.3731 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3731 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8168 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2605 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2605 0.3185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8168 0.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7042 -0.6451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1479 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4082 -0.6450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9643 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5253 -0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0863 -0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0863 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5253 0.6478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9643 0.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7042 -1.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9840 0.5170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3616 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9840 -0.5224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0912 -0.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8057 -1.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 -0.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8183 -1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9523 0.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8183 1.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8057 1.2222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2444 2.1208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2532 -0.8056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5388 -1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7044 0.6395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0101 0.2270 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 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
1 17 1 0 0 0 0
17 18 1 0 0 0 0
18 19 1 0 0 0 0
19 2 1 0 0 0 0
11 20 1 0 0 0 0
20 21 1 0 0 0 0
12 22 1 0 0 0 0
22 23 1 0 0 0 0
13 24 1 0 0 0 0
24 25 1 0 0 0 0
14 26 1 0 0 0 0
26 27 1 0 0 0 0
3 28 1 0 0 0 0
28 29 1 0 0 0 0
5 30 1 0 0 0 0
30 31 1 0 0 0 0
M STY 1 6 SUP
M SLB 1 6 6
M SAL 6 2 30 31
M SBL 6 1 32
M SMT 6 OCH3
M SVB 6 32 -0.7044 0.6395
M STY 1 5 SUP
M SLB 1 5 5
M SAL 5 2 28 29
M SBL 5 1 30
M SMT 5 OCH3
M SVB 5 30 -2.2532 -0.8056
M STY 1 4 SUP
M SLB 1 4 4
M SAL 4 2 26 27
M SBL 4 1 28
M SMT 4 OCH3
M SVB 4 28 1.8057 1.2222
M STY 1 3 SUP
M SLB 1 3 3
M SAL 3 2 24 25
M SBL 3 1 26
M SMT 3 OCH3
M SVB 3 26 2.6471 0.6477
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 22 23
M SBL 2 1 24
M SMT 2 OCH3
M SVB 2 24 2.2899 -0.5301
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 20 21
M SBL 1 1 22
M SMT 1 OCH3
M SVB 1 22 1.0912 -0.8097
S SKP 8
ID FL1CELNS0005
KNApSAcK_ID C00007033
NAME 2,3,4,5,2',6'-Hexamethoxy-3',4'-methylenedioxychalcone
CAS_RN 121697-06-1
FORMULA C22H24O9
EXACTMASS 432.14203236599997
AVERAGEMASS 432.42056
SMILES c(O1)(c3)c(c(c(c(OC)3)C(=O)C=Cc(c2)c(OC)c(c(c2OC)OC)OC)OC)OC1
M END
