Mol:FL3FALNR0006
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
32 35 0 0 0 0 0 0 0 0999 V2000
-1.3054 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3054 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7491 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1928 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1928 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7491 0.9541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3635 -0.3307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9198 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9198 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3635 0.9541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.3635 -0.8315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4759 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0428 0.6266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6098 0.9539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6098 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0428 1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4759 1.6086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8615 0.9539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7491 -0.9728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8615 -0.3305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4176 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9725 -0.3299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5274 -0.0095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9725 -0.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4761 -0.3307 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
2.0324 -0.0095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4761 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0322 -1.2938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0322 -1.9360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5883 -0.9728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5274 1.3371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5274 1.3371 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
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
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
1 18 1 0 0 0 0
3 19 1 0 0 0 0
2 20 1 0 0 0 0
20 21 2 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
8 25 1 0 0 0 0
25 26 1 0 0 0 0
26 13 1 0 0 0 0
25 27 1 0 0 0 0
27 28 2 0 0 0 0
28 29 1 0 0 0 0
28 30 1 0 0 0 0
15 31 1 0 0 0 0
31 32 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 31 32
M SBL 1 1 34
M SMT 1 OCH3
M SVB 1 34 3.5274 1.3371
S SKP 8
ID FL3FALNR0006
KNApSAcK_ID C00004101
NAME Cycloartocarpin A
CAS_RN 156127-37-6
FORMULA C26H26O6
EXACTMASS 434.172938564
AVERAGEMASS 434.48103999999995
SMILES c(c1)(O4)c(C(=O)C(=C34)C(C=C(C)C)Oc(c23)cc(OC)cc2)c(c(c1O)C=CC(C)C)O
M END
