Mol:FL3FA9NP0008
From Metabolomics.JP
(Difference between revisions)
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| − | 35 38 0 0 0 0 0 0 0 0999 V2000 | + | 35 38 0 0 0 0 0 0 0 0999 V2000 |
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| − | 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 17 1 0 0 0 0 | + | 22 17 1 0 0 0 0 |
| − | 20 23 1 0 0 0 0 | + | 20 23 1 0 0 0 0 |
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| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 24 27 1 6 0 0 0 | + | 24 27 1 6 0 0 0 |
| − | 24 26 1 0 0 0 0 | + | 24 26 1 0 0 0 0 |
| − | 27 29 1 0 0 0 0 | + | 27 29 1 0 0 0 0 |
| − | 28 29 2 0 0 0 0 | + | 28 29 2 0 0 0 0 |
| − | 29 30 1 0 0 0 0 | + | 29 30 1 0 0 0 0 |
| − | 20 31 1 6 0 0 0 | + | 20 31 1 6 0 0 0 |
| − | 32 34 1 0 0 0 0 | + | 32 34 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 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FA9NP0008 | + | ID FL3FA9NP0008 |
| − | KNApSAcK_ID C00013473 | + | KNApSAcK_ID C00013473 |
| − | NAME Polystachin (flavone);(9S)-9-[(1R)-1,2-bis(Acetyloxy)-2-methylpropyl]-8,9-dihydro-5-methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one | + | NAME Polystachin (flavone);(9S)-9-[(1R)-1,2-bis(Acetyloxy)-2-methylpropyl]-8,9-dihydro-5-methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one |
| − | CAS_RN 70270-39-2 | + | CAS_RN 70270-39-2 |
| − | FORMULA C26H26O8 | + | FORMULA C26H26O8 |
| − | EXACTMASS 466.162767808 | + | EXACTMASS 466.162767808 |
| − | AVERAGEMASS 466.47983999999997 | + | AVERAGEMASS 466.47983999999997 |
| − | SMILES C(OC(C)=O)(C(OC(C)=O)C(C1)([H])c(c42)c(cc(c(C(=O)C=C(O4)c(c3)cccc3)2)OC)O1)(C)C | + | SMILES C(OC(C)=O)(C(OC(C)=O)C(C1)([H])c(c42)c(cc(c(C(=O)C=C(O4)c(c3)cccc3)2)OC)O1)(C)C |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
35 38 0 0 0 0 0 0 0 0999 V2000
-0.8723 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8723 -0.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5868 -0.4639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5868 -2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1578 -2.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5566 -1.7014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5566 -0.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1579 -0.4639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4854 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1999 -0.7527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9144 -0.3402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9144 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1999 0.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4854 0.4848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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-1.5868 -2.8139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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-1.7583 0.3430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5788 0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9144 -0.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 2 0 0 0 0
2 3 1 0 0 0 0
3 17 2 0 0 0 0
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1 5 1 0 0 0 0
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8 2 1 0 0 0 0
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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 17 1 0 0 0 0
20 23 1 0 0 0 0
23 32 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
24 27 1 6 0 0 0
24 26 1 0 0 0 0
27 29 1 0 0 0 0
28 29 2 0 0 0 0
29 30 1 0 0 0 0
20 31 1 6 0 0 0
32 34 1 0 0 0 0
33 34 2 0 0 0 0
34 35 1 0 0 0 0
S SKP 8
ID FL3FA9NP0008
KNApSAcK_ID C00013473
NAME Polystachin (flavone);(9S)-9-[(1R)-1,2-bis(Acetyloxy)-2-methylpropyl]-8,9-dihydro-5-methoxy-2-phenyl-4H-furo[2,3-h]-1-benzopyran-4-one
CAS_RN 70270-39-2
FORMULA C26H26O8
EXACTMASS 466.162767808
AVERAGEMASS 466.47983999999997
SMILES C(OC(C)=O)(C(OC(C)=O)C(C1)([H])c(c42)c(cc(c(C(=O)C=C(O4)c(c3)cccc3)2)OC)O1)(C)C
M END
