Mol:FL4DACGI0001
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 38 41 0 0 0 0 0 0 0 0999 V2000 | + | 38 41 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.9978 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9978 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2777 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2777 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0066 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0066 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2938 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2938 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4218 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4218 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4331 0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4331 0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1349 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1349 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8530 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8530 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8598 0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8598 0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1531 1.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1531 1.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5981 1.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5981 1.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6070 2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6070 2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3262 2.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3262 2.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0345 2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0345 2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0281 1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0281 1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3082 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3082 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1200 -1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1200 -1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.7061 1.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.7061 1.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5414 -0.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5414 -0.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2938 -1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2938 -1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7679 2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7679 2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2847 1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2847 1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.8721 0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.8721 0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0737 0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0737 0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2803 0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2803 0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6928 1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6928 1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.4912 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.4912 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6482 1.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6482 1.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.1281 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.1281 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7679 0.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7679 0.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3208 0.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3208 0.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2452 0.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2452 0.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6819 0.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6819 0.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6103 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6103 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6103 -1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6103 -1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4002 -1.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4002 -1.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4002 -2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4002 -2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0389 -1.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0389 -1.2195 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 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 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 4 20 1 0 0 0 0 | + | 4 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 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 28 29 1 0 0 0 0 | + | 28 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 32 1 0 0 0 0 | + | 24 32 1 0 0 0 0 |
| − | 25 18 1 0 0 0 0 | + | 25 18 1 0 0 0 0 |
| − | 15 33 1 0 0 0 0 | + | 15 33 1 0 0 0 0 |
| − | 3 34 1 0 0 0 0 | + | 3 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 2 0 0 0 0 | + | 35 36 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 36 38 1 0 0 0 0 | + | 36 38 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL4DACGI0001 | + | ID FL4DACGI0001 |
| − | KNApSAcK_ID C00014417 | + | KNApSAcK_ID C00014417 |
| − | NAME 3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside | + | NAME 3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside |
| − | CAS_RN 340997-06-0 | + | CAS_RN 340997-06-0 |
| − | FORMULA C26H30O12 | + | FORMULA C26H30O12 |
| − | EXACTMASS 534.173726424 | + | EXACTMASS 534.173726424 |
| − | AVERAGEMASS 534.5092 | + | AVERAGEMASS 534.5092 |
| − | SMILES c(c1O)(O)ccc(C(C(O)4)Oc(c2)c(C(=O)4)c(c(c2OC(O3)C(C(C(O)C(CO)3)O)O)CC=C(C)C)O)c1 | + | SMILES c(c1O)(O)ccc(C(C(O)4)Oc(c2)c(C(=O)4)c(c(c2OC(O3)C(C(C(O)C(CO)3)O)O)CC=C(C)C)O)c1 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-0.9978 0.8313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2777 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0066 0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2938 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4218 -0.0097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4331 0.8152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1349 -0.4320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8530 -0.0253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8598 0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1531 1.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5981 1.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6070 2.0410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3262 2.4465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0345 2.0276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0281 1.2046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3082 0.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1200 -1.2569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7061 1.2504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5414 -0.4228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2938 -1.1636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7679 2.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.2847 1.3562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8721 0.6415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0737 0.8507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2803 0.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6928 1.3386 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4912 1.1295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6482 1.7153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1281 1.9924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7679 0.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3208 0.9006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2452 0.2107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6819 0.8271 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6103 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6103 -1.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4002 -1.5883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4002 -2.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0389 -1.2195 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 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
1 18 1 0 0 0 0
8 19 1 0 0 0 0
4 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
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 18 1 0 0 0 0
15 33 1 0 0 0 0
3 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
36 38 1 0 0 0 0
S SKP 8
ID FL4DACGI0001
KNApSAcK_ID C00014417
NAME 3,5,7,3',4'-Pentahydroxy-6-prenylflavanone 7-glucoside
CAS_RN 340997-06-0
FORMULA C26H30O12
EXACTMASS 534.173726424
AVERAGEMASS 534.5092
SMILES c(c1O)(O)ccc(C(C(O)4)Oc(c2)c(C(=O)4)c(c(c2OC(O3)C(C(C(O)C(CO)3)O)O)CC=C(C)C)O)c1
M END
