Mol:FL3FA9NF0003
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 33 37 0 0 0 0 0 0 0 0999 V2000 | + | 33 37 0 0 0 0 0 0 0 0999 V2000 |
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| − | -0.5851 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5851 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2995 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2995 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2995 -1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2995 -1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1294 -1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1294 -1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 0.8439 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.8439 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1294 -0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1294 -0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 2.9873 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9873 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2728 1.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2728 1.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5583 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5583 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.0140 -1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0140 -1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0140 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0140 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4711 0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4711 0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.2915 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.2915 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.6271 0.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.6271 0.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.1355 1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.1355 1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -2.4631 1.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.4631 1.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.3230 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.3230 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.9873 0.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.9873 0.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.7559 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.7559 0.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | -1.2995 -2.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2995 -2.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 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 |
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| − | 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 |
| − | 3 18 1 0 0 0 0 | + | 3 18 1 0 0 0 0 |
| − | 18 19 1 0 0 0 0 | + | 18 19 1 0 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 19 1 0 0 0 0 | + | 23 19 1 0 0 0 0 |
| − | 22 24 1 0 0 0 0 | + | 22 24 1 0 0 0 0 |
| − | 22 25 1 0 0 0 0 | + | 22 25 1 0 0 0 0 |
| − | 21 28 1 1 0 0 0 | + | 21 28 1 1 0 0 0 |
| − | 19 26 1 1 0 0 0 | + | 19 26 1 1 0 0 0 |
| − | 18 27 1 1 0 0 0 | + | 18 27 1 1 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 |
| − | 4 32 1 0 0 0 0 | + | 4 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NF0003 | + | ID FL3FA9NF0003 |
| − | KNApSAcK_ID C00013469 | + | KNApSAcK_ID C00013469 |
| − | NAME Multijugin;(7aR,10S,10aS)-rel-(+)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one | + | NAME Multijugin;(7aR,10S,10aS)-rel-(+)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 58276-82-7 | + | CAS_RN 58276-82-7 |
| − | FORMULA C24H22O7 | + | FORMULA C24H22O7 |
| − | EXACTMASS 422.136553058 | + | EXACTMASS 422.136553058 |
| − | AVERAGEMASS 422.42728 | + | AVERAGEMASS 422.42728 |
| − | SMILES C(c23)([H])(C(OC(C)=O)1)C(Oc(cc(c(C(=O)4)c(OC(c(c5)cccc5)=C4)3)OC)2)(OC(C)(C)1)[H] | + | SMILES C(c23)([H])(C(OC(C)=O)1)C(Oc(cc(c(C(=O)4)c(OC(c(c5)cccc5)=C4)3)OC)2)(OC(C)(C)1)[H] |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 37 0 0 0 0 0 0 0 0999 V2000
-0.5851 -1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5851 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2995 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2995 -1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -1.6675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8439 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -0.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5584 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2728 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9873 -0.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9873 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2728 1.2200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5583 0.8075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1294 -2.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 -1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0140 -0.4300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4711 0.7895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2915 0.8757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6271 0.1220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1355 1.5431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7486 2.0952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4631 1.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1117 2.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3230 2.5208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9873 0.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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-0.3348 2.7800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0332 2.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6581 2.4428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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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
3 18 1 0 0 0 0
18 19 1 0 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 19 1 0 0 0 0
22 24 1 0 0 0 0
22 25 1 0 0 0 0
21 28 1 1 0 0 0
19 26 1 1 0 0 0
18 27 1 1 0 0 0
28 30 1 0 0 0 0
29 30 2 0 0 0 0
30 31 1 0 0 0 0
4 32 1 0 0 0 0
32 33 1 0 0 0 0
S SKP 8
ID FL3FA9NF0003
KNApSAcK_ID C00013469
NAME Multijugin;(7aR,10S,10aS)-rel-(+)-10-(Acetyloxy)-7a,9,10,10a-tetrahydro-5-methoxy-9,9-dimethyl-2-phenyl-4H-furo[3',2':4,5]furo[2,3-h]-1-benzopyran-4-one
CAS_RN 58276-82-7
FORMULA C24H22O7
EXACTMASS 422.136553058
AVERAGEMASS 422.42728
SMILES C(c23)([H])(C(OC(C)=O)1)C(Oc(cc(c(C(=O)4)c(OC(c(c5)cccc5)=C4)3)OC)2)(OC(C)(C)1)[H]
M END
