Mol:FL4DCDNI0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 29 31 0 0 0 0 0 0 0 0999 V2000 | + | 29 31 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.7802 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7802 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0667 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0667 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7753 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7753 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0575 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0575 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3468 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3468 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3504 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3504 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3714 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3714 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0831 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0831 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0776 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0776 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3622 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3622 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7921 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7921 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5074 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5074 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2210 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2210 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2160 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2160 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5008 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5008 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7880 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7880 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3714 -1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3714 -1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0575 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0575 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4947 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4947 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7976 -1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7976 -1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3607 -0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3607 -0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8739 1.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8739 1.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1021 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1021 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0866 -0.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0866 -0.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7860 -0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7860 -0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7860 -1.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7860 -1.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4882 -0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4882 -0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8608 0.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8608 0.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4882 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4882 0.6236 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 |
| − | 1 3 1 0 0 0 0 | + | 1 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 2 1 0 0 0 0 | + | 6 2 1 0 0 0 0 |
| − | 5 7 1 0 0 0 0 | + | 5 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 6 1 0 0 0 0 | + | 10 6 1 0 0 0 0 |
| − | 9 11 1 6 0 0 0 | + | 9 11 1 6 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 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 8 20 1 1 0 0 0 | + | 8 20 1 1 0 0 0 |
| − | 1 19 1 0 0 0 0 | + | 1 19 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 21 1 0 0 0 0 |
| − | 14 22 1 0 0 0 0 | + | 14 22 1 0 0 0 0 |
| − | 19 23 1 0 0 0 0 | + | 19 23 1 0 0 0 0 |
| − | 21 24 1 0 0 0 0 | + | 21 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 13 28 1 0 0 0 0 | + | 13 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DCDNI0002 | + | ID FL4DCDNI0002 |
| − | KNApSAcK_ID C00014381 | + | KNApSAcK_ID C00014381 |
| − | NAME (2R,3R)-3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone | + | NAME (2R,3R)-3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone |
| − | CAS_RN 213910-83-9 | + | CAS_RN 213910-83-9 |
| − | FORMULA C22H24O7 | + | FORMULA C22H24O7 |
| − | EXACTMASS 400.152203122 | + | EXACTMASS 400.152203122 |
| − | AVERAGEMASS 400.42176000000006 | + | AVERAGEMASS 400.42176000000006 |
| − | SMILES O(C)c(c3CC=C(C)C)cc(c2c3O)OC(C(C(=O)2)O)c(c1)ccc(c(OC)1)O | + | SMILES O(C)c(c3CC=C(C)C)cc(c2c3O)OC(C(C(=O)2)O)c(c1)ccc(c(OC)1)O |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
29 31 0 0 0 0 0 0 0 0999 V2000
-1.7802 0.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0667 0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7753 -0.6312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0575 -1.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3468 -0.6233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3504 0.2017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3714 -1.0326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0831 -0.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0776 0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3622 0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7921 0.6221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5074 0.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2210 0.6308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2160 1.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5008 1.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 1.4487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3714 -1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0575 -1.8639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4947 0.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7976 -1.0279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3607 -0.9692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8739 1.8356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1021 0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0866 -0.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7860 -0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7860 -1.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4882 -0.5485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8608 0.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4882 0.6236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 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 2 1 0 0 0 0
5 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 6 1 0 0 0 0
9 11 1 6 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
4 18 1 0 0 0 0
8 20 1 1 0 0 0
1 19 1 0 0 0 0
3 21 1 0 0 0 0
14 22 1 0 0 0 0
19 23 1 0 0 0 0
21 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
25 27 1 0 0 0 0
13 28 1 0 0 0 0
28 29 1 0 0 0 0
S SKP 8
ID FL4DCDNI0002
KNApSAcK_ID C00014381
NAME (2R,3R)-3,5,4'-Trihydroxy-7,3'-dimethoxy-6-prenylflavanone
CAS_RN 213910-83-9
FORMULA C22H24O7
EXACTMASS 400.152203122
AVERAGEMASS 400.42176000000006
SMILES O(C)c(c3CC=C(C)C)cc(c2c3O)OC(C(C(=O)2)O)c(c1)ccc(c(OC)1)O
M END
