Mol:FL1A3CGS0010
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
38 41 0 0 0 0 0 0 0 0999 V2000
-1.3505 0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3505 0.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6361 -0.3442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6361 1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0784 0.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0784 0.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7926 1.3073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5090 0.8921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5081 0.0681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2844 1.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0485 0.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0595 0.1322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7796 -0.2706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4883 0.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4770 0.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7569 1.3793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5238 -0.4353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0362 -1.1011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2652 -0.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4519 -0.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9394 -0.2806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.7104 -0.5748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9299 -0.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4369 0.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.9519 -0.9680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5103 -0.8922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.3664 -1.4616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6361 -1.0702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1379 -0.2117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7926 1.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7796 -0.9723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4369 0.7283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8688 0.9777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.9651 1.0008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9604 -0.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.5103 -1.5870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1379 -1.9493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.1573 -1.9400 0.0000 C 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 5 2 0 0 0 0
6 4 2 0 0 0 0
4 1 1 0 0 0 0
5 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 1 0 0 0 0
5 9 1 0 0 0 0
8 10 2 0 0 0 0
10 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
17 18 1 1 0 0 0
18 19 1 1 0 0 0
20 19 1 1 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
17 25 1 0 0 0 0
18 26 1 0 0 0 0
19 27 1 0 0 0 0
3 28 1 0 0 0 0
14 29 1 0 0 0 0
7 30 2 0 0 0 0
13 31 1 0 0 0 0
24 32 1 0 0 0 0
32 33 2 0 0 0 0
32 34 1 0 0 0 0
2 35 1 0 0 0 0
35 20 1 0 0 0 0
26 36 1 0 0 0 0
36 37 2 0 0 0 0
36 38 1 0 0 0 0
S SKP 8
ID FL1A3CGS0010
KNApSAcK_ID C00014666
NAME Bidenoside A;6,7,3',4'-Tetrahydroxyaurone 6-O-(3'',6''-di-O-acetylglucoside);Maritimetin 6-O-(3'',6''-di-O-acetylglucoside)
CAS_RN 698392-68-6
FORMULA C25H24O13
EXACTMASS 532.121690854
AVERAGEMASS 532.45026
SMILES C(C1Oc(c(O)2)ccc(c(=O)3)c(oc3=Cc(c4)cc(c(O)c4)O)2)(O)C(OC(C)=O)C(C(COC(C)=O)O1)O
M END
