Mol:FL3FFAGS0018
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.4283 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4283 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2861 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0006 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0006 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2861 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7151 -1.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4296 -0.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4296 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7151 0.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1440 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8585 0.2243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5730 0.6368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5730 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8585 1.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1440 1.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7151 -1.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2861 -1.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.3193 1.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1479 0.5713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2861 1.3637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9589 1.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8667 0.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4540 -0.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6557 0.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8622 -0.1338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2748 0.5810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0732 0.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2302 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7100 1.2348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3499 0.1154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9027 0.1430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8272 -0.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5411 -0.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1285 -1.4402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3302 -1.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5367 -1.4580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9492 -0.7432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7476 -0.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9336 -0.2582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4766 0.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9589 -1.1433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.3897 -1.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1768 -1.8034 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
4 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 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
7 17 2 0 0 0 0
3 18 1 0 0 0 0
14 19 1 0 0 0 0
20 1 1 0 0 0 0
6 21 1 0 0 0 0
19 22 1 0 0 0 0
23 24 1 1 0 0 0
24 25 1 1 0 0 0
26 25 1 1 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
28 23 1 0 0 0 0
28 29 1 0 0 0 0
29 30 1 0 0 0 0
23 31 1 0 0 0 0
24 32 1 0 0 0 0
25 33 1 0 0 0 0
26 20 1 0 0 0 0
34 35 1 1 0 0 0
35 36 1 1 0 0 0
37 36 1 1 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
39 34 1 0 0 0 0
39 40 1 0 0 0 0
40 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 44 1 0 0 0 0
37 33 1 0 0 0 0
S SKP 8
ID FL3FFAGS0018
KNApSAcK_ID C00013647
NAME Isoscutellarein 4'-methyl ether 7-allosyl-(1->2)glucoside;7-[(2-O-beta-D-Allopyranosyl-beta-D-glucopyranosyl)oxy]-5,8-dihydroxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 113791-55-2
FORMULA C28H32O16
EXACTMASS 624.1690349759999
AVERAGEMASS 624.54408
SMILES c(c3O)(O1)c(c(O)cc3OC(C(OC(C5O)OC(C(C5O)O)CO)4)OC(CO)C(C(O)4)O)C(=O)C=C(c(c2)ccc(OC)c2)1
M END
