Mol:FL3FAAGS0059
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
53 58 0 0 0 0 0 0 0 0999 V2000
0.6240 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6240 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3385 -0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0529 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0529 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3385 1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7674 -0.4568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4819 -0.0443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4819 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7674 1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1963 1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9108 0.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6253 1.1932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6253 2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9108 2.4307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1963 2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7674 -1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3385 -1.2818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0905 1.1932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3716 2.4490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6238 1.1906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2112 0.4759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4128 0.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6194 0.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0319 1.1730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8303 0.9639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9873 1.5497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4671 1.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1070 0.7074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6598 0.7350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.5843 0.0451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3899 0.0518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9772 -0.6629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1789 -0.4538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3854 -0.6807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7980 0.0341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.5964 -0.1750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7533 0.4109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2332 0.6879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8731 -0.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4259 -0.4039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3504 -1.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.8884 -1.3035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4757 -2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6774 -1.8091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8839 -2.0359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2965 -1.3212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.0949 -1.5303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2519 -0.9444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.7317 -0.6674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.3716 -1.7867 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.9244 -1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.8489 -2.4490 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
1 19 1 0 0 0 0
14 20 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 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 21 1 0 0 0 0
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
37 38 1 0 0 0 0
38 39 1 0 0 0 0
32 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 31 1 0 0 0 0
24 19 1 0 0 0 0
43 44 1 1 0 0 0
44 45 1 1 0 0 0
46 45 1 1 0 0 0
46 47 1 0 0 0 0
47 48 1 0 0 0 0
48 43 1 0 0 0 0
48 49 1 0 0 0 0
49 50 1 0 0 0 0
43 51 1 0 0 0 0
44 52 1 0 0 0 0
45 53 1 0 0 0 0
46 42 1 0 0 0 0
S SKP 8
ID FL3FAAGS0059
KNApSAcK_ID C00013609
NAME Apigenin 7-sophorotrioside;5,7,4'-Trihydroxyflavone 7-sophorotrioside;7-[(O-beta-D-Glucopyranosyl-(1->2)-O-beta-D-glucopyranosyl-(1->2)-b-D-glucopyranosyl)oxy]-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
CAS_RN 205326-78-9
FORMULA C33H40O20
EXACTMASS 756.21129372
AVERAGEMASS 756.6587
SMILES OC(C(CO)6)C(O)C(O)C(O6)OC(C1OC(C2O)C(Oc(c3)cc(c(C5=O)c3OC(=C5)c(c4)ccc(c4)O)O)OC(C2O)CO)C(O)C(C(CO)O1)O
M END
