Mol:FL1CE9NC0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-2.1776 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1776 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 -1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7487 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7487 -0.2062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0345 0.2077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6813 -0.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6812 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3958 0.2061 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8921 0.2062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.8921 -1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.6066 -1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 -2.2687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1776 -2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4631 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7487 1.4438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1776 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8921 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6066 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6066 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3210 2.6812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0355 2.2687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0355 1.4438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3210 1.0313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2646 -1.6146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0511 -2.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0615 -1.4011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6448 -1.9845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4417 -1.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0251 -2.3543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 -2.1408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0355 -1.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4521 -0.7605 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6553 -0.9740 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
1 11 1 0 0 0 0
2 12 1 0 0 0 0
12 13 1 0 0 0 0
3 14 1 0 0 0 0
14 15 1 0 0 0 0
4 16 1 0 0 0 0
16 17 2 0 0 0 0
16 18 1 0 0 0 0
18 19 2 0 0 0 0
19 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 2 0 0 0 0
23 24 1 0 0 0 0
24 25 2 0 0 0 0
25 20 1 0 0 0 0
9 26 2 0 0 0 0
26 27 1 0 0 0 0
26 28 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
30 31 2 0 0 0 0
31 32 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
34 35 2 0 0 0 0
35 30 1 0 0 0 0
S SKP 8
ID FL1CE9NC0001
KNApSAcK_ID C00014583
NAME Didymocalyxin B
CAS_RN 252238-41-8
FORMULA C28H22O7
EXACTMASS 470.136553058
AVERAGEMASS 470.47008000000005
SMILES c(c4)ccc(c4)C=CC(=O)c(c3O)c(c(c(c3OC)OC)1)oc(=O)c1=C(C=Cc(c2)cccc2)O
M END
