Mol:FL3FRNNP0002
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
37 41 0 0 0 0 0 0 0 0999 V2000
0.7127 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7127 0.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0018 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0018 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4272 -0.8013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1416 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1416 0.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4272 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8561 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5706 0.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2850 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2850 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5706 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8561 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4272 -1.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.7163 -0.3888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7163 0.4362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0018 -1.6263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0018 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7163 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4307 0.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9995 2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5706 -0.3875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2774 -0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5019 -0.8401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6325 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2778 -2.0862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3420 -1.4717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9873 -2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1452 2.0862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8597 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5729 2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2862 1.6737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9995 2.0855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2862 0.8500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9919 1.1125 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 17 2 0 0 0 0
16 4 2 0 0 0 0
4 1 1 0 0 0 0
1 5 1 0 0 0 0
5 6 1 0 0 0 0
6 7 2 0 0 0 0
7 8 1 0 0 0 0
8 2 1 0 0 0 0
7 9 1 0 0 0 0
9 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 9 1 0 0 0 0
5 15 2 0 0 0 0
17 16 1 0 0 0 0
4 18 1 0 0 0 0
3 19 1 0 0 0 0
19 20 2 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 17 1 0 0 0 0
12 23 1 0 0 0 0
10 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 6 1 0 0 0 0
25 27 1 6 0 0 0
27 28 1 0 0 0 0
27 29 1 0 0 0 0
27 30 1 0 0 0 0
21 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
34 36 1 0 0 0 0
21 37 1 0 0 0 0
S SKP 8
ID FL3FRNNP0002
KNApSAcK_ID C00013457
NAME Artocommunol CC;(9S)-8,9-Dihydro-6,12-dihydroxy-9-(1-hydroxy-1-methylethyl)-3-methyl-3-(4-methyl-3-pentenyl)-3H,7H-pyrano[2',3':7,8][1]benzopyrano[3,2-d][1]benzoxepin-7-one
CAS_RN 502627-55-6
FORMULA C30H32O7
EXACTMASS 504.214803378
AVERAGEMASS 504.57088
SMILES C(=C15)(c(c4)c(OC(C(C)(C)O)C5)cc(c4)O)Oc(c23)c(c(cc2OC(C=C3)(CCC=C(C)C)C)O)C1=O
M END
