Mol:FL4DCCNS0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 23 25 0 0 0 0 0 0 0 0999 V2000 | + | 23 25 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.9244 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9244 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4035 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4035 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8827 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8827 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8827 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8827 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4035 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4035 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9244 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9244 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1591 -0.7709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.1591 -0.7709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | 0.1591 -0.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 | + | 0.1591 -0.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6795 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6795 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3618 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3618 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2138 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2138 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7482 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7482 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7482 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7482 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2138 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2138 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6795 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6795 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5905 -1.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5905 -1.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4035 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4035 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2138 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2138 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2817 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2817 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2817 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2817 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7817 1.3153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7817 1.3153 0.0000 C 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 |
| − | 3 7 1 0 0 0 0 | + | 3 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 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 0 0 0 |
| − | 7 12 2 0 0 0 0 | + | 7 12 2 0 0 0 0 |
| − | 11 13 2 0 0 0 0 | + | 11 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 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 11 1 0 0 0 0 | + | 17 11 1 0 0 0 0 |
| − | 8 18 1 6 0 0 0 | + | 8 18 1 6 0 0 0 |
| − | 2 19 1 0 0 0 0 | + | 2 19 1 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 15 21 1 0 0 0 0 | + | 15 21 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 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 22 23 | + | M SAL 1 2 22 23 |
| − | M SBL 1 1 24 | + | M SBL 1 1 24 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SVB 1 24 -2.2817 0.4493 | + | M SVB 1 24 -2.2817 0.4493 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DCCNS0002 | + | ID FL4DCCNS0002 |
| − | KNApSAcK_ID C00008578 | + | KNApSAcK_ID C00008578 |
| − | NAME Epipadmatin;(2R,3S)-3,5,3',4'-Tetrahydroxy-7-methoxyflavanone | + | NAME Epipadmatin;(2R,3S)-3,5,3',4'-Tetrahydroxy-7-methoxyflavanone |
| − | CAS_RN 140694-62-8 | + | CAS_RN 140694-62-8 |
| − | FORMULA C16H14O7 | + | FORMULA C16H14O7 |
| − | EXACTMASS 318.073952802 | + | EXACTMASS 318.073952802 |
| − | AVERAGEMASS 318.27816 | + | AVERAGEMASS 318.27816 |
| − | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)[C@@H](O)[C@H]1c(c2)cc(O)c(O)c2 | + | SMILES COc(c3)cc(O1)c(c(O)3)C(=O)[C@@H](O)[C@H]1c(c2)cc(O)c(O)c2 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
23 25 0 0 0 0 0 0 0 0999 V2000
-1.9244 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8827 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 0.1313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9244 -0.1695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -1.0716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1591 -0.7709 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
0.1591 -0.1695 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.3618 0.1313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3618 -1.5956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 -0.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 0.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7482 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6795 0.7480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5905 -1.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4035 -1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2138 1.6725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2817 1.0560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2817 0.4493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7817 1.3153 0.0000 C 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
3 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 4 1 0 0 0 0
9 11 1 6 0 0 0
7 12 2 0 0 0 0
11 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 11 1 0 0 0 0
8 18 1 6 0 0 0
2 19 1 0 0 0 0
16 20 1 0 0 0 0
15 21 1 0 0 0 0
6 22 1 0 0 0 0
22 23 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 22 23
M SBL 1 1 24
M SMT 1 OCH3
M SVB 1 24 -2.2817 0.4493
S SKP 8
ID FL4DCCNS0002
KNApSAcK_ID C00008578
NAME Epipadmatin;(2R,3S)-3,5,3',4'-Tetrahydroxy-7-methoxyflavanone
CAS_RN 140694-62-8
FORMULA C16H14O7
EXACTMASS 318.073952802
AVERAGEMASS 318.27816
SMILES COc(c3)cc(O1)c(c(O)3)C(=O)[C@@H](O)[C@H]1c(c2)cc(O)c(O)c2
M END
