Mol:FL5FAAGS0058
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 39 42 0 0 0 0 0 0 0 0999 V2000 | + | 39 42 0 0 0 0 0 0 0 0999 V2000 |
| − | 0.0856 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0856 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0856 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0856 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6419 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6419 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1982 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1982 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1982 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1982 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6419 0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6419 0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7545 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7545 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3108 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3108 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3108 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3108 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7545 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7545 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7545 -1.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7545 -1.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8669 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8669 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4338 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4338 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0008 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0008 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.4338 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.4338 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8669 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8669 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6419 -1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6419 -1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7945 1.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7945 1.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4094 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4094 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9246 -1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9246 -1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4244 -0.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4244 -0.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0532 -0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0532 -0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5187 -0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5187 -0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0030 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0030 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3778 0.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3778 0.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8454 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8454 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9382 -0.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9382 -0.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6319 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6319 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2125 -0.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2125 -0.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2042 0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2042 0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2042 0.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2042 0.8968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7796 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7796 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7796 1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7796 1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2834 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2834 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.7871 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.7871 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2908 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2908 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.2908 0.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.2908 0.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.7945 1.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.7945 1.2290 0.0000 O 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 20 1 1 0 0 0 0 | + | 20 1 1 0 0 0 0 |
| − | 21 8 1 0 0 0 0 | + | 21 8 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 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 30 1 0 0 0 0 | + | 24 30 1 0 0 0 0 |
| − | 25 20 1 0 0 0 0 | + | 25 20 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 33 35 1 0 0 0 0 | + | 33 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 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 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FAAGS0058 | + | ID FL5FAAGS0058 |
| − | KNApSAcK_ID C00005871 | + | KNApSAcK_ID C00005871 |
| − | NAME Kaempferol 7-(6''-p-succinylglucoside) | + | NAME Kaempferol 7-(6''-p-succinylglucoside) |
| − | CAS_RN 72947-91-2 | + | CAS_RN 72947-91-2 |
| − | FORMULA C25H24O14 | + | FORMULA C25H24O14 |
| − | EXACTMASS 548.116605476 | + | EXACTMASS 548.116605476 |
| − | AVERAGEMASS 548.44966 | + | AVERAGEMASS 548.44966 |
| − | SMILES OC(C4O)C(COC(CCC(O)=O)=O)OC(C4O)Oc(c3)cc(c2c3O)OC(=C(C2=O)O)c(c1)ccc(c1)O | + | SMILES OC(C4O)C(COC(CCC(O)=O)=O)OC(C4O)Oc(c3)cc(c2c3O)OC(=C(C2=O)O)c(c1)ccc(c1)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/
39 42 0 0 0 0 0 0 0 0999 V2000
0.0856 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0856 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6419 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1982 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1982 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6419 0.1641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7545 -1.1207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3108 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3108 -0.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7545 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7545 -1.6215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8669 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4338 -0.1634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0008 0.1639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0008 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4338 1.1460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8669 0.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6419 -1.7628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7945 1.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4094 0.1641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9246 -1.1539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4244 -0.0776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0532 -0.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5187 -0.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0030 -0.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3778 0.0207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8454 -0.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9382 -0.3743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6319 -0.5957 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2125 -0.8738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2042 0.3954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-2.7796 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-3.2834 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7871 1.2290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2908 0.9381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2908 0.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7945 1.2290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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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
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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
19 15 1 0 0 0 0
20 1 1 0 0 0 0
21 8 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
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 30 1 0 0 0 0
25 20 1 0 0 0 0
27 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
33 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 38 2 0 0 0 0
37 39 1 0 0 0 0
S SKP 8
ID FL5FAAGS0058
KNApSAcK_ID C00005871
NAME Kaempferol 7-(6''-p-succinylglucoside)
CAS_RN 72947-91-2
FORMULA C25H24O14
EXACTMASS 548.116605476
AVERAGEMASS 548.44966
SMILES OC(C4O)C(COC(CCC(O)=O)=O)OC(C4O)Oc(c3)cc(c2c3O)OC(=C(C2=O)O)c(c1)ccc(c1)O
M END
