Mol:FL5FBCGS0001
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 36 0 0 0 0 0 0 0 0999 V2000 | + | 33 36 0 0 0 0 0 0 0 0999 V2000 |
| − | -2.0434 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0434 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.0434 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.0434 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9308 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9308 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.9308 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.9308 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.4871 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.4871 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3745 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3745 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1818 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1818 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.1818 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.1818 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3745 0.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3745 0.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.3745 -0.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.3745 -0.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7379 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8719 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8719 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.8719 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.8719 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7379 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.5995 0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.5995 0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3562 1.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3562 1.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.7379 -0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.7379 -0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.3049 2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.3049 2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5503 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5503 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1786 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1786 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9792 -1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9792 -1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1786 -0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1786 -0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.5503 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.5503 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7496 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7496 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5200 -0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5200 -0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7117 -2.1381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7117 -2.1381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0270 -2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0270 -2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.5995 -1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.5995 -1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.9235 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.9235 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.2090 -1.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.2090 -1.0299 0.0000 C 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 |
| − | 19 15 1 0 0 0 0 | + | 19 15 1 0 0 0 0 |
| − | 8 20 1 0 0 0 0 | + | 8 20 1 0 0 0 0 |
| − | 16 21 1 0 0 0 0 | + | 16 21 1 0 0 0 0 |
| − | 23 22 1 1 0 0 0 | + | 23 22 1 1 0 0 0 |
| − | 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 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 26 27 1 1 0 0 0 | + | 26 27 1 1 0 0 0 |
| − | 27 22 1 1 0 0 0 | + | 27 22 1 1 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 22 29 1 0 0 0 0 | + | 22 29 1 0 0 0 0 |
| − | 23 30 1 0 0 0 0 | + | 23 30 1 0 0 0 0 |
| − | 24 31 1 0 0 0 0 | + | 24 31 1 0 0 0 0 |
| − | 26 20 1 0 0 0 0 | + | 26 20 1 0 0 0 0 |
| − | 3 32 1 0 0 0 0 | + | 3 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | M STY 1 1 SUP | + | M STY 1 1 SUP |
| − | M SLB 1 1 1 | + | M SLB 1 1 1 |
| − | M SAL 1 2 32 33 | + | M SAL 1 2 32 33 |
| − | M SBL 1 1 35 | + | M SBL 1 1 35 |
| − | M SMT 1 OCH3 | + | M SMT 1 OCH3 |
| − | M SBV 1 35 -8.7457 6.3068 | + | M SBV 1 35 -8.7457 6.3068 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FBCGS0001 | + | ID FL5FBCGS0001 |
| − | KNApSAcK_ID C00005500 | + | KNApSAcK_ID C00005500 |
| − | NAME Azaleatin 3-rhamnoside | + | NAME Azaleatin 3-rhamnoside |
| − | CAS_RN 29028-02-2 | + | CAS_RN 29028-02-2 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES OC(C1OC(C(=O)2)=C(c(c4)cc(c(O)c4)O)Oc(c3)c2c(OC)cc3O)C(C(O)C(C)O1)O | + | SMILES OC(C1OC(C(=O)2)=C(c(c4)cc(c(O)c4)O)Oc(c3)c2c(OC)cc3O)C(C(O)C(C)O1)O |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
33 36 0 0 0 0 0 0 0 0999 V2000
-2.0434 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0434 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9308 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9308 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4871 0.8279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3745 -0.4569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1818 -0.1357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1818 0.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3745 0.8279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.3745 -0.9577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 0.5004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8719 0.8277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8719 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 1.8098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5995 0.8277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3562 1.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7379 -0.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3049 2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5503 -1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1786 -1.8986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9792 -1.2011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1786 -0.4994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5503 -0.1366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7496 -0.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5200 -0.8341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.7117 -2.1381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0270 -2.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5995 -1.5592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9235 -0.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2090 -1.0299 0.0000 C 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
19 15 1 0 0 0 0
8 20 1 0 0 0 0
16 21 1 0 0 0 0
23 22 1 1 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
26 27 1 1 0 0 0
27 22 1 1 0 0 0
27 28 1 0 0 0 0
22 29 1 0 0 0 0
23 30 1 0 0 0 0
24 31 1 0 0 0 0
26 20 1 0 0 0 0
3 32 1 0 0 0 0
32 33 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 32 33
M SBL 1 1 35
M SMT 1 OCH3
M SBV 1 35 -8.7457 6.3068
S SKP 8
ID FL5FBCGS0001
KNApSAcK_ID C00005500
NAME Azaleatin 3-rhamnoside
CAS_RN 29028-02-2
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES OC(C1OC(C(=O)2)=C(c(c4)cc(c(O)c4)O)Oc(c3)c2c(OC)cc3O)C(C(O)C(C)O1)O
M END
