Mol:FL3FAACS0084
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 37 0 0 0 0 0 0 0 0999 V2000 | + | 34 37 0 0 0 0 0 0 0 0999 V2000 |
| − | 1.5834 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5834 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8689 0.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8689 0.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1545 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1545 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1545 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1545 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8689 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8689 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5834 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5834 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5600 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5600 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2745 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2745 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2745 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2745 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5600 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5600 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.8689 -1.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8689 -1.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3848 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3848 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0992 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0992 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8137 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8137 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8137 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8137 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0992 1.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0992 1.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3848 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3848 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4972 1.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4972 1.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5600 -1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5600 -1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9650 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9650 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0140 -0.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0140 -0.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.6013 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.6013 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8030 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8030 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0095 -1.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0095 -1.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4221 -0.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4221 -0.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.2205 -0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.2205 -0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3774 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3774 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4972 -0.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4972 -0.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.0500 -0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.0500 -0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9745 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9745 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1113 0.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1113 0.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.3489 1.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.3489 1.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -3.1114 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1114 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 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 |
| − | 3 7 1 0 0 0 0 | + | 3 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 4 1 0 0 0 0 | + | 10 4 1 0 0 0 0 |
| − | 5 11 2 0 0 0 0 | + | 5 11 2 0 0 0 0 |
| − | 1 12 1 0 0 0 0 | + | 1 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 |
| − | 15 18 1 0 0 0 0 | + | 15 18 1 0 0 0 0 |
| − | 10 19 1 0 0 0 0 | + | 10 19 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 31 1 0 0 0 0 | + | 27 31 1 0 0 0 0 |
| − | 21 28 1 0 0 0 0 | + | 21 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 9 1 0 0 0 0 | + | 24 9 1 0 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAACS0084 | + | ID FL3FAACS0084 |
| − | KNApSAcK_ID C00014085 | + | KNApSAcK_ID C00014085 |
| − | NAME Isovitexin 6''-O-acetyl | + | NAME Isovitexin 6''-O-acetyl |
| − | CAS_RN - | + | CAS_RN - |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES O(C(C)=O)CC(O1)C(C(O)C(C(c(c(O)4)c(O)cc(c24)OC(c(c3)ccc(c3)O)=CC(=O)2)1)O)O | + | SMILES O(C(C)=O)CC(O1)C(C(O)C(C(c(c(O)4)c(O)cc(c24)OC(c(c3)ccc(c3)O)=CC(=O)2)1)O)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
1.5834 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8689 0.5473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1545 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1545 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8689 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5834 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5600 0.5473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2745 0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2745 -0.6902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5600 -1.1027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8689 -1.6748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3848 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0992 0.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8137 0.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8137 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0992 1.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3848 1.4225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4972 1.8171 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5600 -1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9650 0.5334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0140 -0.3762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6013 -1.0909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8030 -0.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0095 -1.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4221 -0.3939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2205 -0.6030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3774 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4972 -0.8594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0500 -0.8319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9745 -1.5217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1113 0.4437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3489 1.1582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5238 1.1582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1114 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 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 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
1 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
15 18 1 0 0 0 0
10 19 1 0 0 0 0
8 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
26 27 1 0 0 0 0
27 31 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 9 1 0 0 0 0
31 33 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
S SKP 8
ID FL3FAACS0084
KNApSAcK_ID C00014085
NAME Isovitexin 6''-O-acetyl
CAS_RN -
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES O(C(C)=O)CC(O1)C(C(O)C(C(c(c(O)4)c(O)cc(c24)OC(c(c3)ccc(c3)O)=CC(=O)2)1)O)O
M END
