Mol:FL3FACGS0077
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
43 47 0 0 0 0 0 0 0 0999 V2000
-0.1075 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1075 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6070 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3214 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3214 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6070 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0359 -1.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7504 -0.6023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7504 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0359 0.6352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4648 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1793 0.2227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8938 0.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8938 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1793 1.8727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4648 1.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0359 -1.8398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.8271 0.5697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6070 -1.8727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5167 1.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5996 0.2277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3503 0.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9377 -0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1393 0.0116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3459 -0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7584 0.4995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5568 0.2904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7138 0.8763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1936 1.1533 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.8335 0.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3863 0.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3108 -0.6283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1164 -0.6217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7037 -1.3364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9054 -1.1272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1119 -1.3541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5245 -0.6393 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.3229 -0.8484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4798 -0.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9597 0.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5996 -1.1049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.1524 -1.0774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.0769 -1.7672 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
18 1 1 0 0 0 0
3 19 1 0 0 0 0
14 20 1 0 0 0 0
13 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
33 34 1 1 0 0 0
34 35 1 1 0 0 0
36 35 1 1 0 0 0
36 37 1 0 0 0 0
37 38 1 0 0 0 0
38 33 1 0 0 0 0
38 39 1 0 0 0 0
39 40 1 0 0 0 0
33 41 1 0 0 0 0
34 42 1 0 0 0 0
35 43 1 0 0 0 0
36 32 1 0 0 0 0
25 18 1 0 0 0 0
S SKP 8
ID FL3FACGS0077
KNApSAcK_ID C00013662
NAME Luteolin 7-sophoroside;Luteolin 7-O-(beta-D-glucopyranosyl-2-glucopyranoside);2-(3,4-Dihydroxyphenyl)-7-[(2-O-beta-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-4H-1-benzopyran-4-one
CAS_RN 52146-61-9
FORMULA C27H30O16
EXACTMASS 610.153384912
AVERAGEMASS 610.5175
SMILES c(C(=O)5)(c1OC(=C5)c(c4)cc(c(c4)O)O)c(O)cc(OC(O3)C(C(O)C(C3CO)O)OC(O2)C(C(O)C(C2CO)O)O)c1
M END
