Mol:FL3FRNNI0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-0.1399 -0.2563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1352 0.5687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5699 -0.6729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2890 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2937 0.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5816 0.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7226 0.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0105 0.9690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8450 0.9852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5642 0.5768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5688 -0.2482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8591 -0.6648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4317 0.9739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4288 1.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7165 2.2285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0074 1.8070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8591 -1.4897 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5699 -1.4979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1433 2.2241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6704 -0.8162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3967 -0.7995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7264 -0.2552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8092 -1.5140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0950 -1.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5239 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2217 -2.2285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2346 0.9638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.9490 0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2780 -0.6576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9285 -0.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5816 -0.6591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5816 -1.3277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1433 -0.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
1 3 1 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 2 1 0 0 0 0
7 8 1 0 0 0 0
8 5 1 0 0 0 0
2 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 1 2 0 0 0 0
7 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 8 2 0 0 0 0
12 17 1 0 0 0 0
3 18 2 0 0 0 0
14 19 1 0 0 0 0
4 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 7 1 0 0 0 0
21 23 1 0 0 0 0
23 24 1 0 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
10 27 1 0 0 0 0
27 28 1 0 0 0 0
11 29 1 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
31 33 1 0 0 0 0
S SKP 8
ID FL3FRNNI0001
KNApSAcK_ID C00013504
NAME Artonin S;(+)-6,7-Dihydro-3,9-dihydroxy-6-(1-hydroxy-1-methylethyl)-11-methoxy-10-(3-methyl-2-butenyl)-8H-[1]benzopyrano[3,2-d][1]benzoxepin-8-one
CAS_RN 161017-02-3
FORMULA C26H28O7
EXACTMASS 452.18350325
AVERAGEMASS 452.49631999999997
SMILES C(C=C(C)C)c(c(O)1)c(OC)cc(O4)c(C(=O)C(=C42)CC(C(C)(C)O)Oc(c3)c2ccc(O)3)1
M END
