Mol:FL3FRNNP0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 41 0 0 0 0 0 0 0 0999 V2000 | + | 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 -0.3888 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 | + | 0.7127 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 0.8487 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 | + | -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 | + | 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 -0.3888 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 | + | 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 | + | 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 | + | 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 | + | 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 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 | + | 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 | + | 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 | + | 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 | + | 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 -0.3888 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 | + | -0.7163 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 -1.6263 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 | + | -0.0018 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 | + | -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 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 | + | -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 | + | 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 | + | 3.5706 -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 | + | 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 | + | 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 | + | 3.6325 -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 | + | 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 | + | 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 | + | 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 | + | -2.1452 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 | + | -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 | + | -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 | + | -4.2862 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 | + | -4.9995 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 | + | -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 | + | -1.9919 1.1125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
| − | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
| − | 3 17 2 0 0 0 0 | + | 3 17 2 0 0 0 0 |
| − | 16 4 2 0 0 0 0 | + | 16 4 2 0 0 0 0 |
| − | 4 1 1 0 0 0 0 | + | 4 1 1 0 0 0 0 |
| − | 1 5 1 0 0 0 0 | + | 1 5 1 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 2 1 0 0 0 0 | + | 8 2 1 0 0 0 0 |
| − | 7 9 1 0 0 0 0 | + | 7 9 1 0 0 0 0 |
| − | 9 10 2 0 0 0 0 | + | 9 10 2 0 0 0 0 |
| − | 10 11 1 0 0 0 0 | + | 10 11 1 0 0 0 0 |
| − | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
| − | 12 13 1 0 0 0 0 | + | 12 13 1 0 0 0 0 |
| − | 13 14 2 0 0 0 0 | + | 13 14 2 0 0 0 0 |
| − | 14 9 1 0 0 0 0 | + | 14 9 1 0 0 0 0 |
| − | 5 15 2 0 0 0 0 | + | 5 15 2 0 0 0 0 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 4 18 1 0 0 0 0 | + | 4 18 1 0 0 0 0 |
| − | 3 19 1 0 0 0 0 | + | 3 19 1 0 0 0 0 |
| − | 19 20 2 0 0 0 0 | + | 19 20 2 0 0 0 0 |
| − | 20 21 1 0 0 0 0 | + | 20 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 12 23 1 0 0 0 0 | + | 12 23 1 0 0 0 0 |
| − | 10 24 1 0 0 0 0 | + | 10 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 6 1 0 0 0 0 | + | 26 6 1 0 0 0 0 |
| − | 25 27 1 6 0 0 0 | + | 25 27 1 6 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
| − | 21 31 1 0 0 0 0 | + | 21 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 2 0 0 0 0 | + | 33 34 2 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 21 37 1 0 0 0 0 | + | 21 37 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FRNNP0002 | + | ID FL3FRNNP0002 |
| − | KNApSAcK_ID C00013457 | + | 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 | + | 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 | + | CAS_RN 502627-55-6 |
| − | FORMULA C30H32O7 | + | FORMULA C30H32O7 |
| − | EXACTMASS 504.214803378 | + | EXACTMASS 504.214803378 |
| − | AVERAGEMASS 504.57088 | + | 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 | + | 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 | M END | ||
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Latest revision as of 09:00, 14 March 2009
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
