Mol:FL3FAACS0089
From Metabolomics.JP
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
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-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
-2.9763 2.2265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8281 1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7549 2.1522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0975 0.6663 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7549 2.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1517 3.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2572 3.1197 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
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16 17 2 0 0 0 0
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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
