Mol:FL3FAACS0089
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 |
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| − | 2.5476 -0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5476 -0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5476 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5476 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 30 1 0 0 0 0 | + | 27 30 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 |
| − | 7 24 1 0 0 0 0 | + | 7 24 1 0 0 0 0 |
| − | 31 23 1 0 0 0 0 | + | 31 23 1 0 0 0 0 |
| − | 30 32 1 0 0 0 0 | + | 30 32 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAACS0089 | + | ID FL3FAACS0089 |
| − | KNApSAcK_ID C00014090 | + | KNApSAcK_ID C00014090 |
| − | NAME Vitexin 6''-O-acetate;Psilosin | + | NAME Vitexin 6''-O-acetate;Psilosin |
| − | CAS_RN 156790-77-1 | + | CAS_RN 156790-77-1 |
| − | FORMULA C23H22O11 | + | FORMULA C23H22O11 |
| − | EXACTMASS 474.116211546 | + | EXACTMASS 474.116211546 |
| − | AVERAGEMASS 474.41418000000004 | + | AVERAGEMASS 474.41418000000004 |
| − | SMILES C(=C2)(Oc(c(C(C(O)4)OC(COC(C)=O)C(C(O)4)O)3)c(c(O)cc(O)3)C2=O)c(c1)ccc(c1)O | + | SMILES C(=C2)(Oc(c(C(C(O)4)OC(COC(C)=O)C(C(O)4)O)3)c(c(O)cc(O)3)C2=O)c(c1)ccc(c1)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
0.3173 -1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3972 -0.7580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1116 -1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1116 -1.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3972 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3173 -1.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8261 -0.7580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5406 -1.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5406 -1.9955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8261 -2.4080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3972 -2.9801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.1187 -0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8331 -1.1203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5476 -0.7078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5476 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8331 0.5297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1187 0.1172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2311 0.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8261 -3.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2311 -0.7719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3396 1.9783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8281 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3157 0.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2045 -0.1515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7159 0.5136 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2282 1.1606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7549 1.5398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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6 1 2 0 0 0 0
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7 8 2 0 0 0 0
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9 10 2 0 0 0 0
10 4 1 0 0 0 0
5 11 2 0 0 0 0
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12 13 2 0 0 0 0
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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 30 1 0 0 0 0
21 28 1 0 0 0 0
22 29 1 0 0 0 0
7 24 1 0 0 0 0
31 23 1 0 0 0 0
30 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL3FAACS0089
KNApSAcK_ID C00014090
NAME Vitexin 6''-O-acetate;Psilosin
CAS_RN 156790-77-1
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES C(=C2)(Oc(c(C(C(O)4)OC(COC(C)=O)C(C(O)4)O)3)c(c(O)cc(O)3)C2=O)c(c1)ccc(c1)O
M END
