Mol:FL3FAACS0088
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
34 37 0 0 0 0 0 0 0 0999 V2000
0.6969 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0176 -0.4389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7321 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7321 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0176 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6969 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4465 -0.4389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1610 -0.8514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1610 -1.6764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4465 -2.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0176 -2.6610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4983 -0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 -0.8012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9272 -0.3887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9272 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 0.8488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4983 0.4363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6106 0.8309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4465 -2.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8515 -0.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.9600 2.2974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4486 1.6323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9361 0.9854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8249 0.1676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3363 0.8327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8486 1.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3753 1.8589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5967 2.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4486 2.2571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3753 2.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7179 0.9854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1316 2.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4790 2.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6106 1.9805 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 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
29 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
S SKP 8
ID FL3FAACS0088
KNApSAcK_ID C00014089
NAME Vitexin 3''-O-acetate
CAS_RN 439692-86-1
FORMULA C23H22O11
EXACTMASS 474.116211546
AVERAGEMASS 474.41418000000004
SMILES c(O)(c(C(C4O)OC(C(O)C(OC(C)=O)4)CO)3)cc(O)c(c23)C(C=C(O2)c(c1)ccc(c1)O)=O
M END
