Mol:FL3FEAGS0032
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
39 42 0 0 0 0 0 0 0 0999 V2000
-0.7916 -0.9798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7916 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3405 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1106 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1106 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3405 -0.7606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5616 -1.8023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0127 -1.5418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0127 -1.0210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5616 -0.7606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5616 -2.2084 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4636 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9233 -1.0261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3830 -0.7607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3830 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9233 0.0356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4636 -0.2298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3405 -2.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2528 -0.7134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2774 -1.8223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6775 1.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1632 1.4528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8231 0.8561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8231 0.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3373 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6775 1.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8990 2.3220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7914 1.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5850 0.5154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1269 1.8024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5055 1.6359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2426 1.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4594 1.2604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5346 2.1417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9632 -0.1397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5571 -0.1397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5951 -0.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8427 0.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5571 -0.3770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 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
7 11 2 0 0 0 0
9 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
3 18 1 0 0 0 0
19 1 1 0 0 0 0
2 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
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
26 30 1 0 0 0 0
19 24 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
29 35 1 0 0 0 0
35 36 2 0 0 0 0
35 37 1 0 0 0 0
15 38 1 0 0 0 0
38 39 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 38 39
M SBL 1 1 41
M SMT 1 OCH3
M SBV 1 41 -7.7486 5.1739
S SKP 8
ID FL3FEAGS0032
KNApSAcK_ID C00004490
NAME Scutellarein 4'-methyl ether 7-(2'',6''-diacetylalloside)
CAS_RN -
FORMULA C26H26O13
EXACTMASS 546.137340918
AVERAGEMASS 546.4768399999999
SMILES C(C(OC(C)=O)1)(O)C(O)C(COC(C)=O)OC1Oc(c(O)4)cc(c2c(O)4)OC(c(c3)ccc(c3)OC)=CC2=O
M END
