Mol:FL3FAAGS0038
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 37 40 0 0 0 0 0 0 0 0999 V2000 | + | 37 40 0 0 0 0 0 0 0 0999 V2000 |
| − | -0.0125 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0125 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.0125 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.0125 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5438 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5438 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1001 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1001 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1001 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1001 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5438 1.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5438 1.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6564 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6564 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2127 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2127 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.2127 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.2127 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6564 1.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6564 1.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.6564 -0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.6564 -0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7688 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7688 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3358 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3358 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9028 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9028 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.9028 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9028 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3358 2.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3358 2.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.7688 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.7688 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5686 1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5686 1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4696 2.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4696 2.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.5617 -0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.5617 -0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6437 -1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6437 -1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2090 -1.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2090 -1.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5831 -1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5831 -1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1034 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1034 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.4180 -1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.4180 -1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0574 -1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0574 -1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5321 -1.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5321 -1.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.8866 -1.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.8866 -1.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.2244 -2.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.2244 -2.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4473 -0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4473 -0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1213 -0.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1213 -0.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5727 -0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5727 -0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.3108 -0.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.3108 -0.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9333 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9333 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -3.9333 0.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -3.9333 0.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -4.4696 -0.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -4.4696 -0.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5727 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5727 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1 2 1 0 0 0 0 | + | 1 2 1 0 0 0 0 |
| − | 2 3 2 0 0 0 0 | + | 2 3 2 0 0 0 0 |
| − | 3 4 1 0 0 0 0 | + | 3 4 1 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 5 6 1 0 0 0 0 | + | 5 6 1 0 0 0 0 |
| − | 6 1 2 0 0 0 0 | + | 6 1 2 0 0 0 0 |
| − | 4 7 1 0 0 0 0 | + | 4 7 1 0 0 0 0 |
| − | 7 8 1 0 0 0 0 | + | 7 8 1 0 0 0 0 |
| − | 8 9 2 0 0 0 0 | + | 8 9 2 0 0 0 0 |
| − | 9 10 1 0 0 0 0 | + | 9 10 1 0 0 0 0 |
| − | 10 5 1 0 0 0 0 | + | 10 5 1 0 0 0 0 |
| − | 7 11 2 0 0 0 0 | + | 7 11 2 0 0 0 0 |
| − | 9 12 1 0 0 0 0 | + | 9 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 13 14 1 0 0 0 0 | + | 13 14 1 0 0 0 0 |
| − | 14 15 2 0 0 0 0 | + | 14 15 2 0 0 0 0 |
| − | 15 16 1 0 0 0 0 | + | 15 16 1 0 0 0 0 |
| − | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
| − | 17 12 1 0 0 0 0 | + | 17 12 1 0 0 0 0 |
| − | 1 18 1 0 0 0 0 | + | 1 18 1 0 0 0 0 |
| − | 15 19 1 0 0 0 0 | + | 15 19 1 0 0 0 0 |
| − | 21 22 1 1 0 0 0 | + | 21 22 1 1 0 0 0 |
| − | 22 23 1 1 0 0 0 | + | 22 23 1 1 0 0 0 |
| − | 24 23 1 1 0 0 0 | + | 24 23 1 1 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 |
| − | 21 27 1 0 0 0 0 | + | 21 27 1 0 0 0 0 |
| − | 22 28 1 0 0 0 0 | + | 22 28 1 0 0 0 0 |
| − | 23 29 1 0 0 0 0 | + | 23 29 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 26 30 1 0 0 0 0 | + | 26 30 1 0 0 0 0 |
| − | 30 31 1 0 0 0 0 | + | 30 31 1 0 0 0 0 |
| − | 31 32 1 0 0 0 0 | + | 31 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 34 36 2 0 0 0 0 | + | 34 36 2 0 0 0 0 |
| − | 32 37 2 0 0 0 0 | + | 32 37 2 0 0 0 0 |
| − | 20 3 1 0 0 0 0 | + | 20 3 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAAGS0038 | + | ID FL3FAAGS0038 |
| − | KNApSAcK_ID C00004174 | + | KNApSAcK_ID C00004174 |
| − | NAME Apigenin 5-(6''-malonylglucoside) | + | NAME Apigenin 5-(6''-malonylglucoside) |
| − | CAS_RN 130733-28-7 | + | CAS_RN 130733-28-7 |
| − | FORMULA C24H22O13 | + | FORMULA C24H22O13 |
| − | EXACTMASS 518.10604079 | + | EXACTMASS 518.10604079 |
| − | AVERAGEMASS 518.42368 | + | AVERAGEMASS 518.42368 |
| − | SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c12)cc(O)cc1OC(c(c3)ccc(c3)O)=CC2=O | + | SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c12)cc(O)cc1OC(c(c3)ccc(c3)O)=CC2=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/
37 40 0 0 0 0 0 0 0 0999 V2000
-0.0125 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0125 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5438 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1001 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1001 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5438 1.1654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6564 -0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 0.2019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2127 0.8443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6564 1.1654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.6564 -0.6201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7688 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3358 0.8380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9028 1.1653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9028 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3358 2.1474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7688 1.8200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5686 1.1653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.4696 2.1473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.5617 -0.5789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6437 -1.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2090 -1.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5831 -1.5453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1034 -1.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4180 -1.0998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0574 -1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5321 -1.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8866 -1.8217 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.2244 -2.1474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4473 -0.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1213 -0.6540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5727 -0.2027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3108 -0.6288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9333 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9333 0.3290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4696 -0.5790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5727 0.2874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 5 1 0 0 0 0
7 11 2 0 0 0 0
9 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
17 12 1 0 0 0 0
1 18 1 0 0 0 0
15 19 1 0 0 0 0
21 22 1 1 0 0 0
22 23 1 1 0 0 0
24 23 1 1 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 21 1 0 0 0 0
21 27 1 0 0 0 0
22 28 1 0 0 0 0
23 29 1 0 0 0 0
24 20 1 0 0 0 0
26 30 1 0 0 0 0
30 31 1 0 0 0 0
31 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
34 36 2 0 0 0 0
32 37 2 0 0 0 0
20 3 1 0 0 0 0
S SKP 8
ID FL3FAAGS0038
KNApSAcK_ID C00004174
NAME Apigenin 5-(6''-malonylglucoside)
CAS_RN 130733-28-7
FORMULA C24H22O13
EXACTMASS 518.10604079
AVERAGEMASS 518.42368
SMILES O=C(CC(O)=O)OCC(C(O)4)OC(C(C(O)4)O)Oc(c12)cc(O)cc1OC(c(c3)ccc(c3)O)=CC2=O
M END
