Mol:FL7AAGGO0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.9630 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 -0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 -0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8504 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 0.8777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 -0.4070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 -0.0859 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2622 0.5565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2941 0.8777 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0
0.8183 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 0.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9523 1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 1.8596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8183 1.5323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5191 0.8776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 1.8595 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4067 -1.0492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6783 -0.8066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3853 2.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5191 0.5503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5689 -1.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1043 -2.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9344 -1.4375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1043 -0.8395 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5689 -0.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7387 -1.1248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3952 -1.1248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7064 -2.2361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9751 -2.5141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4630 -1.7427 0.0000 C 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 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
10 5 1 0 0 0 0
9 11 1 0 0 0 0
11 12 2 0 0 0 0
12 13 1 0 0 0 0
13 14 2 0 0 0 0
14 15 1 0 0 0 0
15 16 2 0 0 0 0
16 11 1 0 0 0 0
1 17 1 0 0 0 0
14 18 1 0 0 0 0
3 19 1 0 0 0 0
20 8 1 0 0 0 0
15 21 1 0 0 0 0
13 22 1 0 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 27 1 0 0 0 0
27 28 1 1 0 0 0
28 23 1 1 0 0 0
28 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
25 32 1 0 0 0 0
27 20 1 0 0 0 0
S SKP 8
ID FL7AAGGS0002
KNApSAcK_ID C00006699
NAME Delphinidin 3-rhamnoside
CAS_RN 29907-19-5
FORMULA C21H21O11
EXACTMASS 449.108386514
AVERAGEMASS 449.38484
SMILES c(c(O)4)c(O)c(c(c4)2)cc(c(c(c3)cc(O)c(O)c(O)3)[o+1]2)OC(O1)C(O)C(O)C(O)C(C)1
M END
