Mol:FL5FCACS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.7791 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7791 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2228 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3335 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3335 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2228 0.4341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8898 -0.8506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4461 -0.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4461 0.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8898 0.4341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8898 -1.3514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2228 -1.4927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1259 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7121 0.1987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2983 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2983 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7121 1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1259 1.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8842 1.5523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3325 -0.7739 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
-2.8169 -1.3514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.3013 -1.0420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-1.6000 -1.1245 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
-2.0950 -0.6708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6519 -0.9389 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
-3.8842 -1.0924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.4593 -1.4339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7472 -1.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0022 -0.8505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1364 0.7317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6365 1.5977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8542 -0.0439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8092 0.2529 0.0000 O 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
3 12 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 17 1 0 0 0 0
17 18 2 0 0 0 0
18 13 1 0 0 0 0
9 13 1 0 0 0 0
16 19 1 0 0 0 0
20 21 1 1 0 0 0
21 22 1 1 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 20 1 0 0 0 0
20 26 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
2 23 1 0 0 0 0
8 29 1 0 0 0 0
1 30 1 0 0 0 0
30 31 1 0 0 0 0
25 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 32 33
M SBL 2 1 35
M SMT 2 CH2OH
M SVB 2 35 -2.8542 -0.0439
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 30 31
M SBL 1 1 33
M SMT 1 OCH3
M SVB 1 33 -1.1364 0.7317
S SKP 8
ID FL5FCACS0001
KNApSAcK_ID C00006131
NAME Keyakinin;6-beta-D-Glucopyranosyl-3,4',5-trihydroxy-7-methoxyflavone;6-beta-D-Glucopyranosyl-3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-4H-1-benzopyran-4-one
CAS_RN 10515-26-1
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES c(c4OC)(c(O)c(C3=O)c(c4)OC(=C3O)c(c2)ccc(c2)O)[C@H](O1)[C@@H](O)[C@H]([C@H](C1CO)O)O
M END
