Mol:FL3FAAGS0051
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 44 48 0 0 0 0 0 0 0 0999 V2000 | + | 44 48 0 0 0 0 0 0 0 0999 V2000 |
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| − | 31 33 2 0 0 0 0 | + | 31 33 2 0 0 0 0 |
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| − | 39 41 1 0 0 0 0 | + | 39 41 1 0 0 0 0 |
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| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 1 44 1 0 0 0 0 | + | 1 44 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0051 | + | ID FL3FAAGS0051 |
| − | KNApSAcK_ID C00004191 | + | KNApSAcK_ID C00004191 |
| − | NAME Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside) | + | NAME Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside) |
| − | CAS_RN 125300-52-9 | + | CAS_RN 125300-52-9 |
| − | FORMULA C29H32O15 | + | FORMULA C29H32O15 |
| − | EXACTMASS 620.174120354 | + | EXACTMASS 620.174120354 |
| − | AVERAGEMASS 620.55538 | + | AVERAGEMASS 620.55538 |
| − | SMILES C(O)(C(O)1)C(OC(Oc(c5)c(C3=O)c(cc(O)5)OC(c(c4)ccc(c4)O)=C3)C1OC(C2O)OC(C)C(C2O)O)COC(C)=O | + | SMILES C(O)(C(O)1)C(OC(Oc(c5)c(C3=O)c(cc(O)5)OC(c(c4)ccc(c4)O)=C3)C1OC(C2O)OC(C)C(C2O)O)COC(C)=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/
44 48 0 0 0 0 0 0 0 0999 V2000
-0.2471 2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2471 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2492 1.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7454 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7454 2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2492 2.4701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2416 1.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7378 1.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7378 2.1836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2416 2.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2416 0.8774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.2339 2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7396 2.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2453 2.4700 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2453 3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7396 3.3460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2339 3.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7509 3.3459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2492 0.8771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
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19 3 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
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24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
22 27 1 0 0 0 0
23 28 1 0 0 0 0
20 21 1 0 0 0 0
26 29 1 0 0 0 0
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30 31 1 0 0 0 0
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35 34 1 1 0 0 0
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37 38 1 0 0 0 0
38 39 1 1 0 0 0
39 34 1 1 0 0 0
36 40 1 0 0 0 0
28 38 1 0 0 0 0
39 41 1 0 0 0 0
35 42 1 0 0 0 0
34 43 1 0 0 0 0
24 19 1 0 0 0 0
1 44 1 0 0 0 0
S SKP 8
ID FL3FAAGS0051
KNApSAcK_ID C00004191
NAME Apigenin 5-rhamnosyl-(1->2)-(6''-acetylglucoside)
CAS_RN 125300-52-9
FORMULA C29H32O15
EXACTMASS 620.174120354
AVERAGEMASS 620.55538
SMILES C(O)(C(O)1)C(OC(Oc(c5)c(C3=O)c(cc(O)5)OC(c(c4)ccc(c4)O)=C3)C1OC(C2O)OC(C)C(C2O)O)COC(C)=O
M END
