Mol:FL63ACNC0005
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
30 33 0 0 0 0 0 0 0 0999 V2000
-1.4428 1.3713 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9936 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8920 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 0.4172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2097 1.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3411 1.3713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 1.2083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9770 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9769 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 2.5185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8423 2.1910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5438 1.3709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 0.0992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5438 2.5182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3341 -1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4428 -0.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4096 3.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8914 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8914 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3341 -2.5306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2232 -2.2088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2232 -1.5652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4478 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7796 -1.2440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3341 -3.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7598 0.0996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
2 3 1 0 0 0 0
4 5 2 0 0 0 0
5 1 1 0 0 0 0
4 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
9 5 1 0 0 0 0
8 10 1 6 0 0 0
10 11 2 0 0 0 0
11 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 10 1 0 0 0 0
2 16 1 0 0 0 0
3 17 2 0 0 0 0
17 4 1 0 0 0 0
13 18 1 0 0 0 0
6 19 1 1 0 0 0
17 20 1 0 0 0 0
14 21 1 0 0 0 0
19 22 2 0 0 0 0
22 23 1 0 0 0 0
23 24 2 0 0 0 0
24 25 1 0 0 0 0
25 26 2 0 0 0 0
26 19 1 0 0 0 0
22 27 1 0 0 0 0
26 28 1 0 0 0 0
24 29 1 0 0 0 0
7 30 1 6 0 0 0
S SKP 8
ID FL63ACNC0005
KNApSAcK_ID C00009321
NAME Prodelphinidin B6
CAS_RN 61541-02-4
FORMULA C21H18O9
EXACTMASS 414.095082174
AVERAGEMASS 414.36222
SMILES c(C(c43)C(O)C(Oc3cc(O)cc4O)c(c2)cc(c(O)c2)O)(c1O)c(cc(c1)O)O
M END
