Mol:FL5FCAGL0007
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
36 39 0 0 0 0 0 0 0 0999 V2000
-2.9057 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9057 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3494 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7931 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7931 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3494 1.1473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 -0.1374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6805 0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6805 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 1.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2368 -0.6383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0200 1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5870 0.9436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1539 1.2709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1539 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5870 2.2530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0200 1.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3494 -0.7796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7608 2.2760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1468 -0.2464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4912 0.0519 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
1.1904 -0.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
1.7688 -0.3038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3508 -0.4692 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.6517 0.0519 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0732 -0.1134 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
0.9325 -0.0978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1147 0.3612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.0061 0.4063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8940 -0.5650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9608 -1.3285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7261 -1.8319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1719 -1.7342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.9353 -2.4069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2629 1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7628 2.3110 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
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 15 1 0 0 0 0
4 3 1 0 0 0 0
20 8 1 0 0 0 0
21 22 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 21 1 0 0 0 0
21 27 1 0 0 0 0
26 28 1 0 0 0 0
25 29 1 0 0 0 0
24 30 1 0 0 0 0
22 20 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
1 35 1 0 0 0 0
35 36 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 35 36
M SBL 1 1 38
M SMT 1 OCH3
M SVB 1 38 -3.2629 1.4449
S SKP 8
ID FL5FCAGL0007
KNApSAcK_ID C00005927
NAME Rhamnocitrin 3-(6''-acetylglucoside)
CAS_RN 123442-25-1
FORMULA C24H24O12
EXACTMASS 504.126776232
AVERAGEMASS 504.44016
SMILES O(C)c(c1)cc(O)c(C2=O)c1OC(c(c4)ccc(c4)O)=C2O[C@H](O3)C(O)C(O)[C@@H](O)[C@H]3COC(C)=O
M END
