Mol:FL5FAAGS0109
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 54 59 0 0 0 0 0 0 0 0999 V2000 | + | 54 59 0 0 0 0 0 0 0 0999 V2000 |
| − | 2.4700 3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4700 3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4700 2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4700 2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1845 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1845 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8990 2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8990 2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8990 3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8990 3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1845 3.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1845 3.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7556 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7556 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.3266 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3266 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.3266 1.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.3266 1.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0411 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0411 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.1023 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1023 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -0.3878 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3878 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0411 0.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0411 0.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8168 2.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8168 2.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3619 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3619 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.7688 -3.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7688 -3.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0374 -3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0374 -3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.1317 -2.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1317 -2.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.5587 -1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5587 -1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.6697 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6697 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 1.4684 -0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.4684 -0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.4048 -0.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4048 -0.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7733 -1.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7733 -1.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.0618 -1.5879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.0618 -1.5879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3029 -1.2856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3029 -1.2856 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 |
| − | 2 7 1 0 0 0 0 | + | 2 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 |
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| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 24 25 2 0 0 0 0 | + | 24 25 2 0 0 0 0 |
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| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
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| − | 33 35 1 0 0 0 0 | + | 33 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 |
| − | 37 38 2 0 0 0 0 | + | 37 38 2 0 0 0 0 |
| − | 38 39 1 0 0 0 0 | + | 38 39 1 0 0 0 0 |
| − | 39 40 2 0 0 0 0 | + | 39 40 2 0 0 0 0 |
| − | 40 41 1 0 0 0 0 | + | 40 41 1 0 0 0 0 |
| − | 41 42 2 0 0 0 0 | + | 41 42 2 0 0 0 0 |
| − | 42 37 1 0 0 0 0 | + | 42 37 1 0 0 0 0 |
| − | 40 43 1 0 0 0 0 | + | 40 43 1 0 0 0 0 |
| − | 44 45 1 1 0 0 0 | + | 44 45 1 1 0 0 0 |
| − | 45 46 1 1 0 0 0 | + | 45 46 1 1 0 0 0 |
| − | 47 46 1 1 0 0 0 | + | 47 46 1 1 0 0 0 |
| − | 47 48 1 0 0 0 0 | + | 47 48 1 0 0 0 0 |
| − | 48 49 1 0 0 0 0 | + | 48 49 1 0 0 0 0 |
| − | 49 44 1 0 0 0 0 | + | 49 44 1 0 0 0 0 |
| − | 49 50 1 0 0 0 0 | + | 49 50 1 0 0 0 0 |
| − | 50 51 1 0 0 0 0 | + | 50 51 1 0 0 0 0 |
| − | 44 52 1 0 0 0 0 | + | 44 52 1 0 0 0 0 |
| − | 45 53 1 0 0 0 0 | + | 45 53 1 0 0 0 0 |
| − | 46 54 1 0 0 0 0 | + | 46 54 1 0 0 0 0 |
| − | 47 19 1 0 0 0 0 | + | 47 19 1 0 0 0 0 |
| − | 51 22 1 0 0 0 0 | + | 51 22 1 0 0 0 0 |
| − | 33 53 1 0 0 0 0 | + | 33 53 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0109 | + | ID FL5FAAGS0109 |
| − | KNApSAcK_ID C00013776 | + | KNApSAcK_ID C00013776 |
| − | NAME Stenopalustroside A;Kaempfero 3-(3'',6''-di-(Z)-p-coumaroylglucoside);3-[[3,6-bis-O-[(2Z)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one | + | NAME Stenopalustroside A;Kaempfero 3-(3'',6''-di-(Z)-p-coumaroylglucoside);3-[[3,6-bis-O-[(2Z)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one |
| − | CAS_RN 218614-71-2 | + | CAS_RN 218614-71-2 |
| − | FORMULA C39H32O15 | + | FORMULA C39H32O15 |
| − | EXACTMASS 740.174120354 | + | EXACTMASS 740.174120354 |
| − | AVERAGEMASS 740.66238 | + | AVERAGEMASS 740.66238 |
| − | SMILES c(c6)c(ccc6O)C(O4)=C(C(=O)c(c(O)5)c4cc(O)c5)OC(O1)C(C(OC(=O)C=Cc(c3)ccc(c3)O)C(O)C(COC(=O)C=Cc(c2)ccc(c2)O)1)O | + | SMILES c(c6)c(ccc6O)C(O4)=C(C(=O)c(c(O)5)c4cc(O)c5)OC(O1)C(C(OC(=O)C=Cc(c3)ccc(c3)O)C(O)C(COC(=O)C=Cc(c2)ccc(c2)O)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/
54 59 0 0 0 0 0 0 0 0999 V2000
2.4700 3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4700 2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1845 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8990 2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8990 3.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1845 3.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7556 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0411 2.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3266 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3266 1.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0411 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7556 1.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3878 2.4195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1023 2.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1023 1.1820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3878 0.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0411 0.0512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8168 2.4195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3619 0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4997 3.5913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3878 0.0699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8107 -0.2776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8107 0.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4816 -0.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1416 -0.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7220 -0.1457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5249 0.6473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1156 1.2233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9104 0.9990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1132 0.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5225 -0.3758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4997 1.5764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4497 -2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2747 -2.2388 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4671 -3.1991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7688 -3.6295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0374 -3.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0218 -2.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7021 -2.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4057 -2.4347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3874 -3.2613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6634 -3.6570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1317 -2.0428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7570 -1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5587 -1.4420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9582 -0.7201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6697 -0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8679 -0.1079 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4684 -0.8298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9363 -0.5392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4048 -0.6953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7733 -1.9304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.0618 -1.5879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3029 -1.2856 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
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 11 1 0 0 0 0
11 12 1 0 0 0 0
12 7 2 0 0 0 0
9 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 10 1 0 0 0 0
14 18 1 0 0 0 0
11 17 2 0 0 0 0
12 19 1 0 0 0 0
5 20 1 0 0 0 0
16 21 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
24 25 2 0 0 0 0
25 26 1 0 0 0 0
26 27 2 0 0 0 0
27 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 26 1 0 0 0 0
29 32 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 2 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
38 39 1 0 0 0 0
39 40 2 0 0 0 0
40 41 1 0 0 0 0
41 42 2 0 0 0 0
42 37 1 0 0 0 0
40 43 1 0 0 0 0
44 45 1 1 0 0 0
45 46 1 1 0 0 0
47 46 1 1 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
49 44 1 0 0 0 0
49 50 1 0 0 0 0
50 51 1 0 0 0 0
44 52 1 0 0 0 0
45 53 1 0 0 0 0
46 54 1 0 0 0 0
47 19 1 0 0 0 0
51 22 1 0 0 0 0
33 53 1 0 0 0 0
S SKP 8
ID FL5FAAGS0109
KNApSAcK_ID C00013776
NAME Stenopalustroside A;Kaempfero 3-(3'',6''-di-(Z)-p-coumaroylglucoside);3-[[3,6-bis-O-[(2Z)-3-(4-Hydroxyphenyl)-1-oxo-2-propenyl]-beta-D-glucopyranosyl]oxy]-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 218614-71-2
FORMULA C39H32O15
EXACTMASS 740.174120354
AVERAGEMASS 740.66238
SMILES c(c6)c(ccc6O)C(O4)=C(C(=O)c(c(O)5)c4cc(O)c5)OC(O1)C(C(OC(=O)C=Cc(c3)ccc(c3)O)C(O)C(COC(=O)C=Cc(c2)ccc(c2)O)1)O
M END
