Mol:FL3FAADS0040
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 40 44 0 0 0 0 0 0 0 0999 V2000 | + | 40 44 0 0 0 0 0 0 0 0999 V2000 |
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| − | 17 20 1 0 0 0 0 | + | 17 20 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 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 21 29 1 0 0 0 0 | + | 21 29 1 0 0 0 0 |
| − | 22 30 1 0 0 0 0 | + | 22 30 1 0 0 0 0 |
| − | 23 31 1 0 0 0 0 | + | 23 31 1 0 0 0 0 |
| − | 24 20 1 0 0 0 0 | + | 24 20 1 0 0 0 0 |
| − | 32 33 1 1 0 0 0 | + | 32 33 1 1 0 0 0 |
| − | 33 34 1 1 0 0 0 | + | 33 34 1 1 0 0 0 |
| − | 35 34 1 1 0 0 0 | + | 35 34 1 1 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 37 32 1 0 0 0 0 | + | 37 32 1 0 0 0 0 |
| − | 35 9 1 0 0 0 0 | + | 35 9 1 0 0 0 0 |
| − | 33 38 1 0 0 0 0 | + | 33 38 1 0 0 0 0 |
| − | 32 39 1 0 0 0 0 | + | 32 39 1 0 0 0 0 |
| − | 37 40 1 0 0 0 0 | + | 37 40 1 0 0 0 0 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL3FAADS0040 | + | ID FL3FAADS0040 |
| − | KNApSAcK_ID C00014046 | + | KNApSAcK_ID C00014046 |
| − | NAME Rhamnellaflavoside B;6-C-beta-D-Boivinopyranosylapigenin 4'-O-beta-D-glucopyranoside | + | NAME Rhamnellaflavoside B;6-C-beta-D-Boivinopyranosylapigenin 4'-O-beta-D-glucopyranoside |
| − | CAS_RN 681287-09-2 | + | CAS_RN 681287-09-2 |
| − | FORMULA C27H30O13 | + | FORMULA C27H30O13 |
| − | EXACTMASS 562.168641046 | + | EXACTMASS 562.168641046 |
| − | AVERAGEMASS 562.5193 | + | AVERAGEMASS 562.5193 |
| − | SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(O4)=CC(=O)c(c42)c(c(C(C3)OC(C(C(O)3)O)C)c(O)c2)O)c1)O | + | SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(O4)=CC(=O)c(c42)c(c(C(C3)OC(C(C(O)3)O)C)c(O)c2)O)c1)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/
40 44 0 0 0 0 0 0 0 0999 V2000
0.7318 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0173 0.5852 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.6971 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6971 -0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0173 -1.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7318 -0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4116 0.5852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1261 0.1727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1261 -0.6523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4116 -1.0648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7718 0.5456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4116 -1.8042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0173 -1.6368 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5135 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2280 0.2116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9425 0.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9425 1.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2280 1.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5135 1.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5577 1.8043 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6149 -0.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3867 -0.6082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3089 0.2134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6606 0.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8887 0.6679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9664 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3630 -0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0123 -0.6433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0140 -1.4551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0588 -1.0093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9129 -0.0589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.7347 -0.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3222 -1.1984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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1 2 1 0 0 0 0
2 3 1 0 0 0 0
3 4 2 0 0 0 0
4 5 1 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
3 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
9 10 2 0 0 0 0
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8 11 1 0 0 0 0
10 12 1 0 0 0 0
5 13 2 0 0 0 0
1 14 1 0 0 0 0
14 15 2 0 0 0 0
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16 17 2 0 0 0 0
17 18 1 0 0 0 0
18 19 2 0 0 0 0
19 14 1 0 0 0 0
17 20 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
26 27 1 0 0 0 0
27 28 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
23 31 1 0 0 0 0
24 20 1 0 0 0 0
32 33 1 1 0 0 0
33 34 1 1 0 0 0
35 34 1 1 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
37 32 1 0 0 0 0
35 9 1 0 0 0 0
33 38 1 0 0 0 0
32 39 1 0 0 0 0
37 40 1 0 0 0 0
S SKP 8
ID FL3FAADS0040
KNApSAcK_ID C00014046
NAME Rhamnellaflavoside B;6-C-beta-D-Boivinopyranosylapigenin 4'-O-beta-D-glucopyranoside
CAS_RN 681287-09-2
FORMULA C27H30O13
EXACTMASS 562.168641046
AVERAGEMASS 562.5193
SMILES OC(C5CO)C(O)C(C(O5)Oc(c1)ccc(C(O4)=CC(=O)c(c42)c(c(C(C3)OC(C(C(O)3)O)C)c(O)c2)O)c1)O
M END
