Mol:FL5FACNC0001
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 30 33 0 0 0 0 0 0 0 0999 V2000 | + | 30 33 0 0 0 0 0 0 0 0999 V2000 |
| − | -1.5040 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5040 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5040 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5040 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9477 -1.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9477 -1.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3914 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3914 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3914 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3914 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9477 0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9477 0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1649 -1.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1649 -1.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7212 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7212 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7212 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7212 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1649 0.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1649 0.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1649 -1.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1649 -1.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2773 0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2773 0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8443 -0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8443 -0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4112 0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4112 0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4112 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4112 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8443 1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8443 1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2773 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2773 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3010 -1.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3010 -1.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9477 -1.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9477 -1.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9477 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9477 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0371 0.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0371 0.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4919 1.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4919 1.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4919 1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4919 1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9873 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9873 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4827 1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4827 1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4827 1.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4827 1.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9873 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9873 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9781 1.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9781 1.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8443 1.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8443 1.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9781 1.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 1.0446 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 |
| − | 8 18 1 0 0 0 0 | + | 8 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 6 20 1 0 0 0 0 | + | 6 20 1 0 0 0 0 |
| − | 21 1 1 0 0 0 0 | + | 21 1 1 0 0 0 0 |
| − | 20 22 1 0 0 0 0 | + | 20 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 |
| − | 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 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | 27 22 1 0 0 0 0 | + | 27 22 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 16 29 1 0 0 0 0 | + | 16 29 1 0 0 0 0 |
| − | 15 30 1 0 0 0 0 | + | 15 30 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FACNC0001 | + | ID FL5FACNC0001 |
| − | KNApSAcK_ID C00005039 | + | KNApSAcK_ID C00005039 |
| − | NAME 8-p-Hydroxybenzylquercetin | + | NAME 8-p-Hydroxybenzylquercetin |
| − | CAS_RN 163399-32-4 | + | CAS_RN 163399-32-4 |
| − | FORMULA C22H16O8 | + | FORMULA C22H16O8 |
| − | EXACTMASS 408.08451748799996 | + | EXACTMASS 408.08451748799996 |
| − | AVERAGEMASS 408.35764000000006 | + | AVERAGEMASS 408.35764000000006 |
| − | SMILES C(C=3O)(=O)c(c(O)2)c(OC3c(c4)ccc(c4O)O)c(c(c2)O)Cc(c1)ccc(c1)O | + | SMILES C(C=3O)(=O)c(c(O)2)c(OC3c(c4)ccc(c4O)O)c(c(c2)O)Cc(c1)ccc(c1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.5040 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5040 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9477 -1.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3914 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3914 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9477 0.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1649 -1.2219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7212 -0.9007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7212 -0.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1649 0.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1649 -1.7227 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2773 0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8443 -0.2646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4112 0.0627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4112 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8443 1.0447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2773 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3010 -1.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9477 -1.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9477 0.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0371 0.0628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4919 1.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4919 1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9873 1.8640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4827 1.5780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4827 1.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9873 0.7200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9781 1.8640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.8443 1.6992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9781 1.0446 0.0000 O 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
8 18 1 0 0 0 0
3 19 1 0 0 0 0
6 20 1 0 0 0 0
21 1 1 0 0 0 0
20 22 1 0 0 0 0
22 23 2 0 0 0 0
23 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 22 1 0 0 0 0
25 28 1 0 0 0 0
16 29 1 0 0 0 0
15 30 1 0 0 0 0
S SKP 8
ID FL5FACNC0001
KNApSAcK_ID C00005039
NAME 8-p-Hydroxybenzylquercetin
CAS_RN 163399-32-4
FORMULA C22H16O8
EXACTMASS 408.08451748799996
AVERAGEMASS 408.35764000000006
SMILES C(C=3O)(=O)c(c(O)2)c(OC3c(c4)ccc(c4O)O)c(c(c2)O)Cc(c1)ccc(c1)O
M END
