Mol:FL5FAEGI0001
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 |
| − | -2.3972 0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3972 0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3972 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3972 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8409 -0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8409 -0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2846 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2846 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2846 0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2846 0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8409 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8409 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7283 -0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7283 -0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1720 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1720 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1720 0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1720 0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7283 0.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7283 0.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7283 -1.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7283 -1.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3841 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3841 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9511 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9511 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5180 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5180 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5180 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5180 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9511 1.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9511 1.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3841 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3841 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8409 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8409 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3841 -0.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3841 -0.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.0081 0.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.0081 0.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8409 1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8409 1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3970 1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3970 1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.3970 2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.3970 2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9531 2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9531 2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8409 2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8409 2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4440 -1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4440 -1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0722 -2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0722 -2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8729 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8729 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0722 -0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0722 -0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.4440 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4440 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6433 -0.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6433 -0.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4136 -0.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4136 -0.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6054 -2.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6054 -2.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9207 -2.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9207 -2.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4931 -1.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4931 -1.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9511 2.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9511 2.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2937 1.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2937 1.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0081 1.3254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0081 1.3254 0.0000 C 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 2 0 0 0 0 | + | 8 9 2 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 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 6 21 1 0 0 0 0 | + | 6 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 2 0 0 0 0 | + | 22 23 2 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 27 26 1 1 0 0 0 | + | 27 26 1 1 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 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 30 31 1 1 0 0 0 | + | 30 31 1 1 0 0 0 |
| − | 31 26 1 1 0 0 0 | + | 31 26 1 1 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 26 33 1 0 0 0 0 | + | 26 33 1 0 0 0 0 |
| − | 27 34 1 0 0 0 0 | + | 27 34 1 0 0 0 0 |
| − | 28 35 1 0 0 0 0 | + | 28 35 1 0 0 0 0 |
| − | 30 19 1 0 0 0 0 | + | 30 19 1 0 0 0 0 |
| − | 16 36 1 0 0 0 0 | + | 16 36 1 0 0 0 0 |
| − | 15 37 1 0 0 0 0 | + | 15 37 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 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 37 38 | + | M SAL 1 2 37 38 |
| − | M SBL 1 1 40 | + | M SBL 1 1 40 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 40 -5.7012 5.0109 | + | M SBV 1 40 -5.7012 5.0109 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAEGI0001 | + | ID FL5FAEGI0001 |
| − | KNApSAcK_ID C00005835 | + | KNApSAcK_ID C00005835 |
| − | NAME 8-Prenylquercetin 4'-methyl ether 3-rhamnoside;Caohuoside C;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one | + | NAME 8-Prenylquercetin 4'-methyl ether 3-rhamnoside;Caohuoside C;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 164178-23-8 | + | CAS_RN 164178-23-8 |
| − | FORMULA C27H30O11 | + | FORMULA C27H30O11 |
| − | EXACTMASS 530.1788118019999 | + | EXACTMASS 530.1788118019999 |
| − | AVERAGEMASS 530.5205000000001 | + | AVERAGEMASS 530.5205000000001 |
| − | SMILES C(c12)(=O)C(OC(O4)C(O)C(O)C(C4C)O)=C(c(c3)ccc(c3O)OC)Oc1c(c(O)cc2O)CC=C(C)C | + | SMILES C(c12)(=O)C(OC(O4)C(O)C(O)C(C4C)O)=C(c(c3)ccc(c3O)OC)Oc1c(c(O)cc2O)CC=C(C)C |
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
-2.3972 0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3972 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 -0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2846 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2846 0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 0.7035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 -0.5812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1720 -0.2600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1720 0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 0.7035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7283 -1.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3841 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 0.3760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5180 0.7034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5180 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 1.6854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3841 1.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 -1.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3841 -0.5811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0081 0.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 1.3456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3970 1.6667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3970 2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9531 2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8409 2.6299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4440 -1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0722 -2.0642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8729 -1.3667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0722 -0.6650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4440 -0.3022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6433 -0.9997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4136 -0.9997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6054 -2.3037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9207 -2.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4931 -1.7248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9511 2.3399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2937 1.7379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0081 1.3254 0.0000 C 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 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 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
3 18 1 0 0 0 0
8 19 1 0 0 0 0
1 20 1 0 0 0 0
6 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
27 26 1 1 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
30 31 1 1 0 0 0
31 26 1 1 0 0 0
31 32 1 0 0 0 0
26 33 1 0 0 0 0
27 34 1 0 0 0 0
28 35 1 0 0 0 0
30 19 1 0 0 0 0
16 36 1 0 0 0 0
15 37 1 0 0 0 0
37 38 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 37 38
M SBL 1 1 40
M SMT 1 OCH3
M SBV 1 40 -5.7012 5.0109
S SKP 8
ID FL5FAEGI0001
KNApSAcK_ID C00005835
NAME 8-Prenylquercetin 4'-methyl ether 3-rhamnoside;Caohuoside C;3-[(6-Deoxy-alpha-L-mannopyranosyl)oxy]-5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-8-(3-methyl-2-butenyl)-4H-1-benzopyran-4-one
CAS_RN 164178-23-8
FORMULA C27H30O11
EXACTMASS 530.1788118019999
AVERAGEMASS 530.5205000000001
SMILES C(c12)(=O)C(OC(O4)C(O)C(O)C(C4C)O)=C(c(c3)ccc(c3O)OC)Oc1c(c(O)cc2O)CC=C(C)C
M END
