Mol:FL3FA9ND0002
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 34 38 0 0 0 0 0 0 0 0999 V2000 | + | 34 38 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.8216 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8216 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.8216 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.8216 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5361 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5361 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5361 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5361 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1072 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1072 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6073 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6073 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6073 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6073 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1072 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1072 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5361 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5361 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2506 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2506 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9651 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9651 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9651 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9651 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2506 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2506 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5361 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5361 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.1072 -2.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.1072 -2.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2506 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2506 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2506 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2506 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5361 -2.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5361 -2.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2506 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2506 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.5361 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.5361 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2506 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2506 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9651 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9651 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9651 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9651 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9230 1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9230 1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2586 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2586 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0791 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0791 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2586 2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2586 2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7189 2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7189 2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4991 1.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4991 1.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2506 0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2506 0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4995 0.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4995 0.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0686 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0686 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1004 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1004 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6808 0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6808 0.7665 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 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 0 0 0 |
| − | 3 20 1 0 0 0 0 | + | 3 20 1 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 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 17 1 0 0 0 0 | + | 23 17 1 0 0 0 0 |
| − | 20 24 1 0 0 0 0 | + | 20 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 21 1 0 0 0 0 | + | 26 21 1 0 0 0 0 |
| − | 25 27 1 0 0 0 0 | + | 25 27 1 0 0 0 0 |
| − | 25 28 1 0 0 0 0 | + | 25 28 1 0 0 0 0 |
| − | 24 29 2 0 0 0 0 | + | 24 29 2 0 0 0 0 |
| − | 20 31 1 1 0 0 0 | + | 20 31 1 1 0 0 0 |
| − | 21 30 1 1 0 0 0 | + | 21 30 1 1 0 0 0 |
| − | 31 33 1 0 0 0 0 | + | 31 33 1 0 0 0 0 |
| − | 32 33 2 0 0 0 0 | + | 32 33 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9ND0002 | + | ID FL3FA9ND0002 |
| − | KNApSAcK_ID C00013472 | + | KNApSAcK_ID C00013472 |
| − | NAME Tephrodin;(8aR,11aR)-rel-(-)-11a-(Acetyloxy)-8a,11a-dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione | + | NAME Tephrodin;(8aR,11aR)-rel-(-)-11a-(Acetyloxy)-8a,11a-dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione |
| − | CAS_RN 35820-35-0 | + | CAS_RN 35820-35-0 |
| − | FORMULA C25H22O8 | + | FORMULA C25H22O8 |
| − | EXACTMASS 450.13146768 | + | EXACTMASS 450.13146768 |
| − | AVERAGEMASS 450.43738 | + | AVERAGEMASS 450.43738 |
| − | SMILES c(c13)c(c(C4=O)c(OC(c(c5)cccc5)=C4)c1C(C2(CO3)[H])(OC(C)=O)C(=O)C(O2)(C)C)OC | + | SMILES c(c13)c(c(C4=O)c(OC(c(c5)cccc5)=C4)c1C(C2(CO3)[H])(OC(C)=O)C(=O)C(O2)(C)C)OC |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
34 38 0 0 0 0 0 0 0 0999 V2000
-0.8216 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8216 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5361 0.0060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5361 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1072 -1.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6073 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6073 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1072 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5361 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2506 -0.2828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9651 0.1297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9651 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2506 1.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5361 0.9547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1072 -2.3115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2506 -1.2315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2506 -0.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5361 -2.3440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2506 -2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5361 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2506 1.2435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9651 0.8310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9651 0.0060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9230 1.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2586 2.1367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0791 2.0504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2586 2.7565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7189 2.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4991 1.6277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2506 0.4950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4995 0.5532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0686 1.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1004 0.9220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6808 0.7665 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
18 19 1 0 0 0 0
3 20 1 0 0 0 0
20 21 1 0 0 0 0
21 22 1 0 0 0 0
22 23 1 0 0 0 0
23 17 1 0 0 0 0
20 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
25 27 1 0 0 0 0
25 28 1 0 0 0 0
24 29 2 0 0 0 0
20 31 1 1 0 0 0
21 30 1 1 0 0 0
31 33 1 0 0 0 0
32 33 2 0 0 0 0
33 34 1 0 0 0 0
S SKP 8
ID FL3FA9ND0002
KNApSAcK_ID C00013472
NAME Tephrodin;(8aR,11aR)-rel-(-)-11a-(Acetyloxy)-8a,11a-dihydro-5-methoxy-10,10-dimethyl-2-phenyl-4H,8H-furo[3,2-d]benzo[1,2-b:3,4-b']dipyran-4,11(10H)-dione
CAS_RN 35820-35-0
FORMULA C25H22O8
EXACTMASS 450.13146768
AVERAGEMASS 450.43738
SMILES c(c13)c(c(C4=O)c(OC(c(c5)cccc5)=C4)c1C(C2(CO3)[H])(OC(C)=O)C(=O)C(O2)(C)C)OC
M END
