Mol:FL3F19NF0004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 31 35 0 0 0 0 0 0 0 0999 V2000 | + | 31 35 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.4639 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4639 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4639 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4639 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1784 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1784 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1784 -1.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1784 -1.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2506 -1.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2506 -1.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9650 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9650 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.9650 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.9650 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2506 -0.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2506 -0.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6795 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6795 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3940 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3940 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1084 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1084 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.1084 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.1084 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3940 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3940 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6795 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6795 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.2506 -2.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.2506 -2.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8928 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8928 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8928 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8928 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.3499 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3499 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1704 0.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1704 0.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5059 -0.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5059 -0.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5709 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5709 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3301 1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3301 1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9604 1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9604 1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5906 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5906 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2606 2.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2606 2.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4924 2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4924 2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2849 0.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2849 0.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2634 1.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2634 1.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.1084 2.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.1084 2.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.4769 2.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4769 2.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0554 2.6901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0554 2.6901 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 |
| − | 18 3 1 1 0 0 0 | + | 18 3 1 1 0 0 0 |
| − | 18 19 1 6 0 0 0 | + | 18 19 1 6 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 1 0 0 0 0 |
| − | 20 17 1 0 0 0 0 | + | 20 17 1 0 0 0 0 |
| − | 18 21 1 0 0 0 0 | + | 18 21 1 0 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 18 1 0 0 0 0 | + | 24 18 1 0 0 0 0 |
| − | 24 28 1 6 0 0 0 | + | 24 28 1 6 0 0 0 |
| − | 23 25 1 0 0 0 0 | + | 23 25 1 0 0 0 0 |
| − | 23 26 1 0 0 0 0 | + | 23 26 1 0 0 0 0 |
| − | 21 27 2 0 0 0 0 | + | 21 27 2 0 0 0 0 |
| − | 28 30 1 0 0 0 0 | + | 28 30 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3F19NF0004 | + | ID FL3F19NF0004 |
| − | KNApSAcK_ID C00013464 | + | KNApSAcK_ID C00013464 |
| − | NAME Glabratephrin;(3R,4R)-rel-(-)-4-(Acetyloxy)-4,5-dihydro-5,5-dimethyl-2'-phenylspiro[furan-3(2H),9'(8'H)-[4H]furo[2,3-h][1]benzopyran]-2,4'-dione | + | NAME Glabratephrin;(3R,4R)-rel-(-)-4-(Acetyloxy)-4,5-dihydro-5,5-dimethyl-2'-phenylspiro[furan-3(2H),9'(8'H)-[4H]furo[2,3-h][1]benzopyran]-2,4'-dione |
| − | CAS_RN 51311-64-9 | + | CAS_RN 51311-64-9 |
| − | FORMULA C24H20O7 | + | FORMULA C24H20O7 |
| − | EXACTMASS 420.120902994 | + | EXACTMASS 420.120902994 |
| − | AVERAGEMASS 420.41139999999996 | + | AVERAGEMASS 420.41139999999996 |
| − | SMILES C(=O)(C=4)c(c1OC(c(c5)cccc5)4)ccc(O3)c1C(C3)(C2=O)C(OC(C)=O)C(C)(C)O2 | + | SMILES C(=O)(C=4)c(c1OC(c(c5)cccc5)4)ccc(O3)c1C(C3)(C2=O)C(OC(C)=O)C(C)(C)O2 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
31 35 0 0 0 0 0 0 0 0999 V2000
-0.4639 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4639 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1784 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1784 -1.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2506 -1.8404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9650 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9650 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2506 -0.1904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6795 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3940 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1084 -0.1904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1084 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3940 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6795 0.6346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2506 -2.6901 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8928 -1.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8928 -0.6029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3499 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1704 0.7028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5059 -0.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5709 0.6165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3301 1.3574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9604 1.8153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5906 1.3574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2606 2.3354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4924 2.2834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2849 0.1212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2634 1.5377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.1084 2.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.4769 2.2686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0554 2.6901 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
18 3 1 1 0 0 0
18 19 1 6 0 0 0
19 20 1 0 0 0 0
20 17 1 0 0 0 0
18 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 18 1 0 0 0 0
24 28 1 6 0 0 0
23 25 1 0 0 0 0
23 26 1 0 0 0 0
21 27 2 0 0 0 0
28 30 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
S SKP 8
ID FL3F19NF0004
KNApSAcK_ID C00013464
NAME Glabratephrin;(3R,4R)-rel-(-)-4-(Acetyloxy)-4,5-dihydro-5,5-dimethyl-2'-phenylspiro[furan-3(2H),9'(8'H)-[4H]furo[2,3-h][1]benzopyran]-2,4'-dione
CAS_RN 51311-64-9
FORMULA C24H20O7
EXACTMASS 420.120902994
AVERAGEMASS 420.41139999999996
SMILES C(=O)(C=4)c(c1OC(c(c5)cccc5)4)ccc(O3)c1C(C3)(C2=O)C(OC(C)=O)C(C)(C)O2
M END
