Mol:FL3F19GF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 36 0 0 0 0 0 0 0 0999 V2000
-1.3947 -2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7169 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7169 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3947 -0.6018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0725 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0725 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 -2.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6388 -1.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6388 -0.9931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 -0.6018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2927 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9734 -1.0086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6541 -0.6156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6541 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9734 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2927 0.1704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0390 -2.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5574 0.1638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3358 0.2456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6541 -0.4694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9734 1.1989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5743 2.2850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1618 1.5705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6363 1.7796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4295 1.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0171 2.2674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2189 2.0584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0791 2.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3489 2.8273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0161 1.8433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5835 1.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3643 1.3085 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
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
6 1 1 0 0 0 0
2 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 3 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
7 17 2 0 0 0 0
4 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 5 1 0 0 0 0
15 21 1 0 0 0 0
22 23 1 1 0 0 0
23 24 1 1 0 0 0
25 24 1 1 0 0 0
25 26 1 0 0 0 0
26 27 1 0 0 0 0
27 22 1 0 0 0 0
27 28 1 0 0 0 0
28 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
21 25 1 0 0 0 0
S SKP 8
ID FL3F19GF0001
KNApSAcK_ID C00011167
NAME Pongamoside A
CAS_RN 713524-63-1
FORMULA C23H20O9
EXACTMASS 440.11073223799997
AVERAGEMASS 440.3995
SMILES c(c32)cc(c1c2OC(c(c4)cc(OC(C(O)5)OC(CO)C(O)C5O)cc4)=CC3=O)occ1
M END
