Mol:FL631ANS0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 19 21 0 0 0 0 0 0 0 0999 V2000 | + | 19 21 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.8191 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8191 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8191 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8191 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3011 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3011 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7831 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7831 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7831 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7831 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3011 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3011 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2651 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2651 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2529 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2529 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2529 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2529 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2651 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2651 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7709 -1.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7709 -1.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7709 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7709 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2932 -0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2932 -0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8155 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8155 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8155 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8155 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2932 1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2932 1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7709 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7709 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3371 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3371 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3371 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3371 0.1458 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 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 |
| − | 8 11 1 1 0 0 0 | + | 8 11 1 1 0 0 0 |
| − | 9 12 1 6 0 0 0 | + | 9 12 1 6 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 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 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL631ANS0001 | + | ID FL631ANS0001 |
| − | KNApSAcK_ID C00009357 | + | KNApSAcK_ID C00009357 |
| − | NAME Guibourtinidol;(2R,3S)-4',7-Dihydroxyflavan-3-ol | + | NAME Guibourtinidol;(2R,3S)-4',7-Dihydroxyflavan-3-ol |
| − | CAS_RN 251909-54-3 | + | CAS_RN 251909-54-3 |
| − | FORMULA C15H14O4 | + | FORMULA C15H14O4 |
| − | EXACTMASS 258.089208936 | + | EXACTMASS 258.089208936 |
| − | AVERAGEMASS 258.26926000000003 | + | AVERAGEMASS 258.26926000000003 |
| − | SMILES Oc(c3)ccc(c3)C(O1)C(O)Cc(c2)c(cc(O)c2)1 | + | SMILES Oc(c3)ccc(c3)C(O1)C(O)Cc(c2)c(cc(O)c2)1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
19 21 0 0 0 0 0 0 0 0999 V2000
-1.8191 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8191 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3011 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7831 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7831 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3011 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2651 -1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2529 -0.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2529 -0.1533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2651 0.1458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7709 -1.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7709 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2932 -0.1557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8155 0.1458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8155 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2932 1.0504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7709 0.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3371 1.0500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3371 0.1458 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 1 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
8 11 1 1 0 0 0
9 12 1 6 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
15 18 1 0 0 0 0
1 19 1 0 0 0 0
S SKP 8
ID FL631ANS0001
KNApSAcK_ID C00009357
NAME Guibourtinidol;(2R,3S)-4',7-Dihydroxyflavan-3-ol
CAS_RN 251909-54-3
FORMULA C15H14O4
EXACTMASS 258.089208936
AVERAGEMASS 258.26926000000003
SMILES Oc(c3)ccc(c3)C(O1)C(O)Cc(c2)c(cc(O)c2)1
M END
