Mol:FL1A98GS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
40 44 0 0 0 0 0 0 0 0999 V2000
-0.7127 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7127 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0017 -2.9098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0017 -1.2598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7162 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7162 -1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4304 -1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1468 -1.6735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1459 -2.4975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7292 -3.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8613 -1.2610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8613 -0.4364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5763 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5761 0.8015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8613 1.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1472 0.8010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1474 -0.0240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6165 -0.3306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8752 0.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8230 -0.1929 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0148 -0.3602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5953 -0.9159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5432 -0.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2650 0.0751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1454 0.6697 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4522 1.1310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5227 0.4124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1099 0.2385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4527 -0.8574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9287 2.5805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8765 1.7569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0684 1.5897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4583 1.0340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5104 1.8576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3185 2.0249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1989 2.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5058 3.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5763 2.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1634 2.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5063 1.0925 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 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
5 9 1 0 0 0 0
9 10 2 0 0 0 0
8 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 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
17 18 1 0 0 0 0
19 20 1 1 0 0 0
20 21 1 1 0 0 0
22 21 1 1 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 19 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
19 27 1 0 0 0 0
20 28 1 0 0 0 0
21 29 1 0 0 0 0
30 31 1 1 0 0 0
31 32 1 1 0 0 0
33 32 1 1 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 30 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
30 38 1 0 0 0 0
31 39 1 0 0 0 0
32 40 1 0 0 0 0
33 26 1 0 0 0 0
18 22 1 0 0 0 0
S SKP 8
ID FL1A98GS0001
KNApSAcK_ID C00014663
NAME Dalmaisione D;2'-Hydroxyaurone 2'-O-glucosyl-(1'''->6'')-glucoside;2'-Hydroxyaurone 2'-gentiobioside
CAS_RN 418810-16-9
FORMULA C27H30O13
EXACTMASS 562.168641046
AVERAGEMASS 562.5193
SMILES O=c(c(=Cc(c5)c(ccc5)OC(O3)C(C(C(O)C3COC(C4O)OC(C(C(O)4)O)CO)O)O)2)c(c1o2)cccc1
M END
