Mol:FL2FAAGM0001
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 35 0 0 0 0 0 0 0 0999 V2000 | + | 32 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.7740 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7740 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7740 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7740 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2177 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2177 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3386 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3386 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3386 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3386 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2177 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2177 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8949 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8949 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4512 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4512 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4512 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 1.4512 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 0.8949 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8949 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0073 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0073 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5743 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5743 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1413 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1413 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1413 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1413 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5743 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5743 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0073 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0073 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8949 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8949 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3656 0.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3656 0.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2177 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2177 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3301 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3301 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7081 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7081 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3233 0.4409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | -3.3233 0.4409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -2.9792 -0.0133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.9792 -0.0133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.4837 0.1794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.4837 0.1794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.0056 0.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | -2.0056 0.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | -2.3530 0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3530 0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8592 0.3503 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | -2.8592 0.3503 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | -3.7658 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7658 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3041 -0.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3041 -0.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1998 -0.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1998 -0.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0381 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0381 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0058 1.2520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0058 1.2520 0.0000 O 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 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 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 9 11 1 0 0 0 0 | + | 9 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 15 16 2 0 0 0 0 | + | 15 16 2 0 0 0 0 |
| − | 16 11 1 0 0 0 0 | + | 16 11 1 0 0 0 0 |
| − | 7 17 2 0 0 0 0 | + | 7 17 2 0 0 0 0 |
| − | 18 1 1 0 0 0 0 | + | 18 1 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 2 20 1 0 0 0 0 | + | 2 20 1 0 0 0 0 |
| − | 14 21 1 0 0 0 0 | + | 14 21 1 0 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 23 24 1 1 0 0 0 | + | 23 24 1 1 0 0 0 |
| − | 25 24 1 1 0 0 0 | + | 25 24 1 1 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 22 1 0 0 0 0 | + | 27 22 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 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 18 25 1 0 0 0 0 | + | 18 25 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 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 34 | + | M SBL 1 1 34 |
| − | M SMT 1 CH2OH | + | M SMT 1 CH2OH |
| − | M SVB 1 34 -3.0381 0.9999 | + | M SVB 1 34 -3.0381 0.9999 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL2FAAGM0001 | + | ID FL2FAAGM0001 |
| − | KNApSAcK_ID C00008238 | + | KNApSAcK_ID C00008238 |
| − | NAME Poriolin | + | NAME Poriolin |
| − | CAS_RN 24274-44-0 | + | CAS_RN 24274-44-0 |
| − | FORMULA C22H24O10 | + | FORMULA C22H24O10 |
| − | EXACTMASS 448.136946988 | + | EXACTMASS 448.136946988 |
| − | AVERAGEMASS 448.41996000000006 | + | AVERAGEMASS 448.41996000000006 |
| − | SMILES O=C(c31)CC(c(c4)ccc(c4)O)Oc(cc(c(c(O)3)C)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 | + | SMILES O=C(c31)CC(c(c4)ccc(c4)O)Oc(cc(c(c(O)3)C)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-0.7740 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7740 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2177 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3386 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3386 0.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2177 0.4725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8949 -0.8123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4512 -0.4911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4512 0.1513 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.8949 0.4725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0073 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5743 0.1450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1413 0.4723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1413 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5743 1.4544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0073 1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8949 -1.3560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3656 0.4928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2177 -1.4544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3301 -0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7081 1.4543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3233 0.4409 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.9792 -0.0133 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.4837 0.1794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0056 0.1846 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3530 0.5321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8592 0.3503 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.7658 0.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3041 -0.4409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1998 -0.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0381 0.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0058 1.2520 0.0000 O 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
7 17 2 0 0 0 0
18 1 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
14 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
18 25 1 0 0 0 0
27 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 34
M SMT 1 CH2OH
M SVB 1 34 -3.0381 0.9999
S SKP 8
ID FL2FAAGM0001
KNApSAcK_ID C00008238
NAME Poriolin
CAS_RN 24274-44-0
FORMULA C22H24O10
EXACTMASS 448.136946988
AVERAGEMASS 448.41996000000006
SMILES O=C(c31)CC(c(c4)ccc(c4)O)Oc(cc(c(c(O)3)C)O[C@@H]([C@@H](O)2)OC(CO)[C@@H]([C@@H]2O)O)1
M END
