Mol:FL5FEAGS0006
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 |
| − | -2.1733 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1733 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1733 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1733 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6170 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6170 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0607 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0607 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.0607 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.0607 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6170 0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6170 0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5043 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5043 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0520 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0520 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.0520 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.0520 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5043 0.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5043 0.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -0.5043 -0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -0.5043 -0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6080 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6080 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1750 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1750 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7420 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7420 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7420 1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7420 1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.1750 1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.1750 1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.6080 1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.6080 1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.7294 0.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.7294 0.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 0.4854 -0.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 0.4854 -0.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3088 1.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3088 1.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -1.6170 -1.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -1.6170 -1.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9675 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9675 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.6929 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.6929 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.1715 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.1715 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.9933 -0.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.9933 -0.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.2679 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.2679 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 1.7892 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 1.7892 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4564 -0.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4564 -0.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.4084 -1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.4084 -1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8445 -1.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8445 -1.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8877 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8877 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.8877 -0.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.8877 -0.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | -2.1733 -0.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | -2.1733 -0.4514 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 |
| − | 8 19 1 0 0 0 0 | + | 8 19 1 0 0 0 0 |
| − | 20 15 1 0 0 0 0 | + | 20 15 1 0 0 0 0 |
| − | 3 21 1 0 0 0 0 | + | 3 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 19 1 0 0 0 0 | + | 26 19 1 0 0 0 0 |
| − | 2 32 1 0 0 0 0 | + | 2 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 -8.2461 4.2747 | + | M SBV 1 35 -8.2461 4.2747 |
| − | S SKP 8 | + | S SKP 8 |
| − | ID FL5FEAGS0006 | + | ID FL5FEAGS0006 |
| − | KNApSAcK_ID C00005317 | + | KNApSAcK_ID C00005317 |
| − | NAME 6-Methoxykaempferol 3-rhamnoside | + | NAME 6-Methoxykaempferol 3-rhamnoside |
| − | CAS_RN 104055-83-6 | + | CAS_RN 104055-83-6 |
| − | FORMULA C22H22O11 | + | FORMULA C22H22O11 |
| − | EXACTMASS 462.116211546 | + | EXACTMASS 462.116211546 |
| − | AVERAGEMASS 462.40348000000006 | + | AVERAGEMASS 462.40348000000006 |
| − | SMILES OC(C1OC(=C(c(c4)ccc(c4)O)3)C(=O)c(c(O3)2)c(c(OC)c(c2)O)O)C(C(O)C(C)O1)O | + | SMILES OC(C1OC(=C(c(c4)ccc(c4)O)3)C(=O)c(c(O3)2)c(c(OC)c(c2)O)O)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
-2.1733 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1733 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0607 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 0.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5043 -0.4516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 -0.1304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0520 0.5120 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5043 0.8332 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.5043 -0.9524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6080 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1750 0.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7420 0.8331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7420 1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1750 1.8151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6080 1.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7294 0.8331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4854 -0.5638 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3088 1.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.6170 -1.0937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9675 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6929 -1.3183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1715 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9933 -0.1066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.2679 -0.1065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7892 -0.6110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4564 -0.2258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.4084 -1.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8445 -1.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8877 -0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8877 -0.0389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1733 -0.4514 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
8 19 1 0 0 0 0
20 15 1 0 0 0 0
3 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 19 1 0 0 0 0
2 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 -8.2461 4.2747
S SKP 8
ID FL5FEAGS0006
KNApSAcK_ID C00005317
NAME 6-Methoxykaempferol 3-rhamnoside
CAS_RN 104055-83-6
FORMULA C22H22O11
EXACTMASS 462.116211546
AVERAGEMASS 462.40348000000006
SMILES OC(C1OC(=C(c(c4)ccc(c4)O)3)C(=O)c(c(O3)2)c(c(OC)c(c2)O)O)C(C(O)C(C)O1)O
M END
