Mol:Baicalin
From Metabolomics.JP
(Difference between revisions)
(New page: ACD/Labs11090716283D 32 35 0 0 1 0 0 0 0 0 1 V2000 17.2240 -12.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2240 -13.5003 0.0000 C 0 0 0 0 0...) |
Latest revision as of 13:24, 9 December 2009
ACD/Labs11090716283D
32 35 0 0 1 0 0 0 0 0 1 V2000
17.2240 -12.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.2240 -13.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0721 -11.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0721 -14.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9203 -12.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.9203 -13.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5277 -12.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
19.5277 -13.5003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
18.3758 -11.5053 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3758 -14.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7685 -14.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
16.0721 -15.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3758 -15.4953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.6795 -11.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6795 -10.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8314 -12.1703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8314 -9.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9832 -11.5053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9832 -10.1753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7686 -11.5054 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6168 -12.1705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6169 -13.5003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4651 -11.5056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3135 -12.1707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4653 -14.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3136 -13.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4650 -10.1756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1616 -11.5058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1618 -14.1656 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4653 -15.4953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6172 -16.1602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3134 -16.1604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 1 2 0 0 0 0
4 2 2 0 0 0 0
5 3 1 0 0 0 0
6 4 1 0 0 0 0
6 5 2 0 0 0 0
8 7 2 0 0 0 0
9 7 1 0 0 0 0
10 8 1 0 0 0 0
1 9 1 0 0 0 0
2 10 1 0 0 0 0
2 1 1 0 0 0 0
4 12 1 0 0 0 0
10 13 2 0 0 0 0
15 14 1 0 0 0 0
16 14 2 0 0 0 0
17 15 2 0 0 0 0
18 16 1 0 0 0 0
19 17 1 0 0 0 0
19 18 2 0 0 0 0
7 14 1 0 0 0 0
20 5 1 0 0 0 0
21 20 1 6 0 0 0
11 6 1 0 0 0 0
23 21 1 0 0 0 0
22 21 1 0 0 0 0
24 23 1 0 0 0 0
25 22 1 0 0 0 0
26 24 1 0 0 0 0
26 25 1 0 0 0 0
23 27 1 1 0 0 0
24 28 1 6 0 0 0
26 29 1 1 0 0 0
31 30 2 0 0 0 0
32 30 1 0 0 0 0
25 30 1 6 0 0 0
S SKP 5
ID Baicalin
FORMULA C21H18O11
EXACTMASS 446.084911418
AVERAGEMASS 446.36102
SMILES OC(=O)C(O1)C(O)C(O)C(O)C1Oc(c2)c(O)c(O)c(C(=O)3)c(OC(c(c4)cccc4)=C3)2
M END
